(N-(7-(nitrobenz-2-oxa-1,3-diazol-4-yl))-7-amino-3alpha,12alpha-dihydroxycholan-24-oyl)-2-aminoethanesulfonate

Modify Date: 2025-08-25 22:14:55

(N-(7-(nitrobenz-2-oxa-1,3-diazol-4-yl))-7-amino-3alpha,12alpha-dihydroxycholan-24-oyl)-2-aminoethanesulfonate structure	Common Name	(N-(7-(nitrobenz-2-oxa-1,3-diazol-4-yl))-7-amino-3alpha,12alpha-dihydroxycholan-24-oyl)-2-aminoethanesulfonate
	CAS Number	124882-57-1	Molecular Weight	677.809
	Density	1.4±0.1 g/cm3	Boiling Point	N/A
	Molecular Formula	C₃₂H₄₇N₅O₉S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-({(3α,5β,7β,8ξ,9ξ,12α,14ξ)-3,12-Dihydroxy-7-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-24-oxocholan-24-yl}amino)ethanesulfonic acid
Synonym	More Synonyms

Density	1.4±0.1 g/cm3
Molecular Formula	C₃₂H₄₇N₅O₉S
Molecular Weight	677.809
Exact Mass	677.309448
LogP	2.28
Index of Refraction	1.615
InChIKey	OPHJSJAUIOZCAY-BXUBCPGOSA-N
SMILES	CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(Nc4ccc([N+](=O)[O-])c5nonc45)CC4CC(O)CCC4(C)C3CC(O)C12C

Ethanesulfonic acid, 2-[[(3α,5β,7β,8ξ,9ξ,12α,14ξ)-3,12-dihydroxy-7-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-24-oxocholan-24-yl]amino]-

2-({(3α,5β,7β,8ξ,9ξ,12α,14ξ)-3,12-Dihydroxy-7-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-24-oxocholan-24-yl}amino)ethanesulfonic acid

Names