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Chemistry

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Also known as: 1199796-29-6, S-emca, Utd8bcw6b8, Chembl567640, (2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid, 6alpha-ethyl-23(s)-methyl-cholic acid
Molecular Formula
C27H46O5
Molecular Weight
450.7  g/mol
InChI Key
NPBCMXATLRCCLF-IRRLEISYSA-N
FDA UNII
UTD8BCW6B8

INT 777
1 2D Structure

INT 777

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid
2.1.2 InChI
InChI=1S/C27H46O5/c1-6-17-20-12-16(28)9-10-26(20,4)21-13-22(29)27(5)18(14(2)11-15(3)25(31)32)7-8-19(27)23(21)24(17)30/h14-24,28-30H,6-13H2,1-5H3,(H,31,32)/t14-,15+,16-,17-,18-,19+,20+,21+,22+,23+,24-,26+,27-/m1/s1
2.1.3 InChI Key
NPBCMXATLRCCLF-IRRLEISYSA-N
2.1.4 Canonical SMILES
CCC1C2CC(CCC2(C3CC(C4(C(C3C1O)CCC4C(C)CC(C)C(=O)O)C)O)C)O
2.1.5 Isomeric SMILES
CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C(=O)O)C)O)C)O
2.2 Other Identifiers
2.2.1 UNII
UTD8BCW6B8
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 6alpha-ethyl-23(s)-methylcholic Acid

2.3.2 Depositor-Supplied Synonyms

1. 1199796-29-6

2. S-emca

3. Utd8bcw6b8

4. Chembl567640

5. (2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic Acid

6. 6alpha-ethyl-23(s)-methyl-cholic Acid

7. Unii-utd8bcw6b8

8. (2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic Acid

9. 6alpha-ethyl-23(s)-methylcholic Acid

10. Int 777

11. 6a-ethyl-23(s)-methylcholic Acid

12. Schembl593390

13. Gtpl7048

14. Int777

15. Zxb79629

16. Bdbm50300199

17. Zinc43207363

18. Cs-3199

19. Ac-31549

20. Hy-15677

21. 6.alpha.-ethyl-23(s)-methylcholic Acid

22. Q27088779

23. 6alpha-ethyl-23(s)-methyl-3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oic Acid

24. Cholane-23-carboxylic Acid, 6-ethyl-3,7,12-trihydroxy-, (3alpha,5beta,6alpha,7alpha,12alpha,23s)-

25. Fx0

2.4 Create Date
2010-06-03
3 Chemical and Physical Properties
Molecular Weight 450.7 g/mol
Molecular Formula C27H46O5
XLogP34.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass450.33452456 g/mol
Monoisotopic Mass450.33452456 g/mol
Topological Polar Surface Area98 Ų
Heavy Atom Count32
Formal Charge0
Complexity710
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

ABOUT THIS PAGE

Looking for 1199796-29-6 / INT 777 API manufacturers, exporters & distributors?

INT 777 manufacturers, exporters & distributors 1

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PharmaCompass offers a list of INT 777 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 INT 777 manufacturer or INT 777 supplier for your needs.

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred INT 777 manufacturer or INT 777 supplier.

PharmaCompass also assists you with knowing the INT 777 API Price utilized in the formulation of products. INT 777 API Price is not always fixed or binding as the INT 777 Price is obtained through a variety of data sources. The INT 777 Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

INT 777

Synonyms

1199796-29-6, S-emca, Utd8bcw6b8, Chembl567640, (2s,4r)-4-[(3r,5s,6r,7r,8r,9s,10s,12s,13r,14s,17r)-6-ethyl-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid, 6alpha-ethyl-23(s)-methyl-cholic acid

Cas Number

1199796-29-6

Unique Ingredient Identifier (UNII)

UTD8BCW6B8

INT 777 Manufacturers

A INT 777 manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of INT 777, including repackagers and relabelers. The FDA regulates INT 777 manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. INT 777 API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

INT 777 Suppliers

A INT 777 supplier is an individual or a company that provides INT 777 active pharmaceutical ingredient (API) or INT 777 finished formulations upon request. The INT 777 suppliers may include INT 777 API manufacturers, exporters, distributors and traders.

INT 777 GMP

INT 777 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 INT 777 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 INT 777 GMP manufacturer or INT 777 GMP API supplier for your needs.

INT 777 CoA

A INT 777 CoA (Certificate of Analysis) is a formal document that attests to INT 777's compliance with INT 777 specifications and serves as a tool for batch-level quality control.

INT 777 CoA mostly includes findings from lab analyses of a specific batch. For each INT 777 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.

INT 777 may be tested according to a variety of international standards, such as European Pharmacopoeia (INT 777 EP), INT 777 JP (Japanese Pharmacopeia) and the US Pharmacopoeia (INT 777 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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