CAS 68385-50-2|8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1

Introduction：Basic information about CAS 68385-50-2|8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Synonyms

Common Name	8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1
CAS Number	68385-50-2	Molecular Weight	635.59600
Density	1.66g/cm3 (20°C, 760 mmHg), 计算值	Boiling Point	1083.2°C (760 mmHg), 计算值
Molecular Formula	C₂₇H₂₉N₃O₁₃S	Melting Point	/
MSDS	/	Flash Point	608.9°C

Names

Name	8,9-dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1
Synonym	More Synonyms

Chemical & Physical Properties

Density	1.66g/cm3 (20°C, 760 mmHg), 计算值
Boiling Point	1083.2°C (760 mmHg), 计算值
Molecular Formula	C₂₇H₂₉N₃O₁₃S
Molecular Weight	635.59600
Flash Point	608.9°C
Exact Mass	635.14200
PSA	279.32000
LogP	0.54280
Vapour Pressure	0mmHg at 25°C
Index of Refraction	1.694
InChIKey	LYDBAPNRLUDIAS-GPQHGYBDSA-N
SMILES	COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)C1C(O2)OC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C1O

Synonyms

Afb(1)-gsh

8,9-Dihydro-9-hydroxy-8-(S-glutathionyl)aflatoxin B1

Afb1-gsh conjugate

8,9-Dihydro-8-(S-glutathionyl)-9-hydroxyaflatoxin B1

Glycine, N-(N-L-gamma-glutamyl-S-(1,2,3,6a,8,9,9a,11-octahydro-9-hydroxy-4-methoxy-1,11-dioxocyclopenta(c)furo(3',2':4,5)furo(2,3-h)(1)benzopyran-8-yl)-L-cysteinyl)-

gamma-glutamyl-S-[(8S,9R)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl]cysteinylglycine

(S)-2-amino-5-(((R)-1-((carboxymethyl)amino)-3-(((6aS,8S,9S,9aR)-9-hydroxy-4-methoxy-1,11-dioxo-1,2,3,6a,8,9,9a,11-octahydrocyclopenta[c]furo[3',2':4,5]furo[2,3-h]chromen-8-yl)thio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid

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