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Chemistry

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Also known as: 1599440-13-7, Mc-ggfg-dxd(1), 5seb972co4, N-((s)-10-benzyl-1-(((1s,9s)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1h,12h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-6-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)hexanamide, 6-(2,5-dioxopyrrol-1-yl)-n-[2-[[2-[[(2s)-1-[[2-[[2-[[(10s,23s)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide, Deruxtecan [usan]
Molecular Formula
C52H56FN9O13
Molecular Weight
1034.1  g/mol
InChI Key
WXNSCLIZKHLNSG-MCZRLCSDSA-N
FDA UNII
5SEB972CO4

Deruxtecan
1 2D Structure

Deruxtecan

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-(2,5-dioxopyrrol-1-yl)-N-[2-[[2-[[(2S)-1-[[2-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide
2.1.2 InChI
InChI=1S/C52H56FN9O13/c1-3-52(73)33-19-38-48-31(24-62(38)50(71)32(33)25-75-51(52)72)47-35(14-13-30-28(2)34(53)20-36(60-48)46(30)47)58-43(67)26-74-27-57-41(65)22-56-49(70)37(18-29-10-6-4-7-11-29)59-42(66)23-55-40(64)21-54-39(63)12-8-5-9-17-61-44(68)15-16-45(61)69/h4,6-7,10-11,15-16,19-20,35,37,73H,3,5,8-9,12-14,17-18,21-27H2,1-2H3,(H,54,63)(H,55,64)(H,56,70)(H,57,65)(H,58,67)(H,59,66)/t35-,37-,52-/m0/s1
2.1.3 InChI Key
WXNSCLIZKHLNSG-MCZRLCSDSA-N
2.1.4 Canonical SMILES
CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CNC(=O)C(CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)O
2.1.5 Isomeric SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)O
2.2 Other Identifiers
2.2.1 UNII
5SEB972CO4
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 1599440-13-7

2. Mc-ggfg-dxd(1)

3. 5seb972co4

4. N-((s)-10-benzyl-1-(((1s,9s)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1h,12h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-6-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)hexanamide

5. 6-(2,5-dioxopyrrol-1-yl)-n-[2-[[2-[[(2s)-1-[[2-[[2-[[(10s,23s)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide

6. Deruxtecan [usan]

7. Unii-5seb972co4

8. Maaa-1162a

9. Schembl17003548

10. Ex-a4318

11. Hy-13631e

12. Deruxtecan Pyrrole-2,5-dione

13. Akos040741623

14. At21794

15. Ms-31882

16. Cs-0045125

17. A937678

18. N-((s)-5-(2-amino-2-oxoethyl)-7-benzyl-1-(((1s,9s)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1h,12h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12-tetraoxo-3-oxa-5,8,11-triazatridecan-13-yl)-6-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)hexanamide

19. N-(6-(2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)-1-oxohexyl)glycylglycyl-l-phenylalanyl-n-((2-(((1s,9s)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1h,12h-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinolin-1-yl)amino)-2-oxoethoxy

20. N-(6-(2,5-dihydro-2,5-dioxo-1h-pyrrol-1-yl)-1-oxohexyl)glycylglycyl-l-phenylalanyl-n-((2-(((1s,9s)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1h,12h-benzo(de)pyrano(3',4':6,7)indolizino(1,2-b)quinolin-1-yl)amino)-2-oxoethoxy)methyl)glycinamide

2.4 Create Date
2016-02-23
3 Chemical and Physical Properties
Molecular Weight 1034.1 g/mol
Molecular Formula C52H56FN9O13
XLogP3-0.4
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count15
Rotatable Bond Count22
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area301
Heavy Atom Count75
Formal Charge0
Complexity2360
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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Looking for 1599440-13-7 / Deruxtecan API manufacturers, exporters & distributors?

Deruxtecan manufacturers, exporters & distributors 1

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PharmaCompass offers a list of Deruxtecan API manufacturers, exporters & distributors, which can be sorted by GMP, USDMF, JDMF, KDMF, CEP (COS), WC, Price,and more, enabling you to easily find the right Deruxtecan manufacturer or Deruxtecan supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Deruxtecan manufacturer or Deruxtecan supplier.

PharmaCompass also assists you with knowing the Deruxtecan API Price utilized in the formulation of products. Deruxtecan API Price is not always fixed or binding as the Deruxtecan Price is obtained through a variety of data sources. The Deruxtecan Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Deruxtecan

Synonyms

1599440-13-7, Mc-ggfg-dxd(1), 5seb972co4, N-((s)-10-benzyl-1-(((1s,9s)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1h,12h-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-1,6,9,12,15-pentaoxo-3-oxa-5,8,11,14-tetraazahexadecan-16-yl)-6-(2,5-dioxo-2,5-dihydro-1h-pyrrol-1-yl)hexanamide, 6-(2,5-dioxopyrrol-1-yl)-n-[2-[[2-[[(2s)-1-[[2-[[2-[[(10s,23s)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]hexanamide, Deruxtecan [usan]

Cas Number

1599440-13-7

Unique Ingredient Identifier (UNII)

5SEB972CO4

Deruxtecan Manufacturers

A Deruxtecan manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Deruxtecan, including repackagers and relabelers. The FDA regulates Deruxtecan manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Deruxtecan API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of Deruxtecan manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Deruxtecan Suppliers

A Deruxtecan supplier is an individual or a company that provides Deruxtecan active pharmaceutical ingredient (API) or Deruxtecan finished formulations upon request. The Deruxtecan suppliers may include Deruxtecan API manufacturers, exporters, distributors and traders.

click here to find a list of Deruxtecan suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Deruxtecan USDMF

A Deruxtecan DMF (Drug Master File) is a document detailing the whole manufacturing process of Deruxtecan active pharmaceutical ingredient (API) in detail. Different forms of Deruxtecan DMFs exist exist since differing nations have different regulations, such as Deruxtecan USDMF, ASMF (EDMF), JDMF, CDMF, etc.

A Deruxtecan DMF submitted to regulatory agencies in the US is known as a USDMF. Deruxtecan USDMF includes data on Deruxtecan's chemical properties, information on the facilities and procedures used, and details about packaging and storage. The Deruxtecan USDMF is kept confidential to protect the manufacturer’s intellectual property.

click here to find a list of Deruxtecan suppliers with USDMF on PharmaCompass.

Deruxtecan JDMF

The Pharmaceuticals and Medical Devices Agency (PMDA) established the Japan Drug Master File (JDMF), also known as the Master File (MF), to permit Japanese and foreign manufacturers of drug substances, intermediates, excipients, raw materials, and packaging materials (‘Products’) to voluntarily register confidential information about the production and management of their products in Japan.

The Deruxtecan Drug Master File in Japan (Deruxtecan JDMF) empowers Deruxtecan API manufacturers to present comprehensive information (e.g., production methods, data, etc.) to the review authority, i.e., PMDA (Pharmaceuticals & Medical Devices Agency).

PMDA reviews the Deruxtecan JDMF during the approval evaluation for pharmaceutical products. At the time of Deruxtecan JDMF registration, PMDA checks if the format is accurate, if the necessary items have been included (application), and if data has been attached.

click here to find a list of Deruxtecan suppliers with JDMF on PharmaCompass.

Deruxtecan NDC

National Drug Code is a comprehensive database maintained by the FDA that contains information on all drugs marketed in the US. This directory includes information about finished drug products, unfinished drug products, and compounded drug products, including those containing Deruxtecan as an active pharmaceutical ingredient (API).

Finished drug products

The FDA updates the NDC directory daily. The NDC numbers for Deruxtecan API and other APIs are published in this directory by the FDA.

Unfinished drugs

The NDC unfinished drugs database includes product listing information submitted for all unfinished drugs, such as active pharmaceutical ingredients (APIs), drugs intended for further processing and bulk drug substances for compounding.

Pharmaceutical companies that manufacture Deruxtecan as an active pharmaceutical ingredient (API) must furnish the FDA with an updated record of all drugs that they produce, prepare, propagate, compound, or process for commercial distribution in the US at their facilities.

Compounded drug products

The NDC directory also contains data on finished compounded human drug products that contain Deruxtecan and are produced by outsourcing facilities. While these outsourcing facilities are not mandated to assign a Deruxtecan NDC to their finished compounded human drug products, they may choose to do so.

click here to find a list of Deruxtecan suppliers with NDC on PharmaCompass.

Deruxtecan GMP

Deruxtecan Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Deruxtecan GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Deruxtecan GMP manufacturer or Deruxtecan GMP API supplier for your needs.

Deruxtecan CoA

A Deruxtecan CoA (Certificate of Analysis) is a formal document that attests to Deruxtecan's compliance with Deruxtecan specifications and serves as a tool for batch-level quality control.

Deruxtecan CoA mostly includes findings from lab analyses of a specific batch. For each Deruxtecan CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Deruxtecan may be tested according to a variety of international standards, such as European Pharmacopoeia (Deruxtecan EP), Deruxtecan JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Deruxtecan USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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