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Chemistry

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Also known as: Glucobrassicin, Indolylmethylglucosinolate, 3-indolylmethylglucosinolate, Ea6eh0iu89, 4356-52-9, 3-img
Molecular Formula
C16H20N2O9S2
Molecular Weight
448.5  g/mol
InChI Key
DNDNWOWHUWNBCK-PIAXYHQTSA-N
FDA UNII
EA6EH0IU89

Glucobrassicin
glucobrassicin is a natural product found in Brassica incana, Lepidium meyenii, and other organisms with data available.
1 2D Structure

Glucobrassicin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1Z)-2-(1H-indol-3-yl)-N-sulfooxyethanimidothioate
2.1.2 InChI
InChI=1S/C16H20N2O9S2/c19-7-11-13(20)14(21)15(22)16(26-11)28-12(18-27-29(23,24)25)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-17,19-22H,5,7H2,(H,23,24,25)/b18-12-/t11-,13-,14+,15-,16+/m1/s1
2.1.3 InChI Key
DNDNWOWHUWNBCK-PIAXYHQTSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=NOS(=O)(=O)O)SC3C(C(C(C(O3)CO)O)O)O
2.1.5 Isomeric SMILES
C1=CC=C2C(=C1)C(=CN2)C/C(=N/OS(=O)(=O)O)/S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
2.2 Other Identifiers
2.2.1 UNII
EA6EH0IU89
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-indolylmethylglucosinolate

2. Glucobrassicin

3. Indol-3-ylmethyl Glucosinolate

2.3.2 Depositor-Supplied Synonyms

1. Glucobrassicin

2. Indolylmethylglucosinolate

3. 3-indolylmethylglucosinolate

4. Ea6eh0iu89

5. 4356-52-9

6. 3-img

7. Indolylmethyl Glucosinolate

8. Glucobrassicine

9. [(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1z)-2-(1h-indol-3-yl)-n-sulfooxyethanimidothioate

10. Indol-3-ylmethylglucosinolate

11. Unii-ea6eh0iu89

12. 3-indoleglucobrassicin

13. 1-s-[2-(1h-indol-3-yl)-n-(sulfooxy)ethanimidoyl]-1-thio-beta-d-glucopyranose

14. Q27109856

15. Beta-d-glucopyranose, 1-thio-, 1-(n-(sulfooxy)-1h-indole-3-ethanimidate)

16. .beta.-d-glucopyranose, 1-thio-, 1-(n-(sulfooxy)-1h-indole-3-ethanimidate), Z-

17. Glucopyranose, 1-thio-, 1-indole-3-acetohydroximate No-(hydrogen Sulfate), .beta.-d-

2.4 Create Date
2006-05-24
3 Chemical and Physical Properties
Molecular Weight 448.5 g/mol
Molecular Formula C16H20N2O9S2
XLogP3-0.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass448.06102257 g/mol
Monoisotopic Mass448.06102257 g/mol
Topological Polar Surface Area216 Ų
Heavy Atom Count29
Formal Charge0
Complexity686
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

REF. STANDARDS & IMPURITIES

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Glucobrassicin manufacturers, exporters & distributors 1

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

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

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

API | Excipient name

Glucobrassicin

Synonyms

Indolylmethylglucosinolate, 3-indolylmethylglucosinolate, Ea6eh0iu89, 4356-52-9, 3-img, Indolylmethyl glucosinolate

Cas Number

4356-52-9

Unique Ingredient Identifier (UNII)

EA6EH0IU89

About Glucobrassicin

glucobrassicin is a natural product found in Brassica incana, Lepidium meyenii, and other organisms with data available.

Glucobrassicin Manufacturers

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

Glucobrassicin Suppliers

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

Glucobrassicin GMP

Glucobrassicin 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 Glucobrassicin 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 Glucobrassicin GMP manufacturer or Glucobrassicin GMP API supplier for your needs.

Glucobrassicin CoA

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

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

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