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

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

CAS No:
124882-57-1
Formula:
C32H47N5O9S
Chemical Name:
(N-(7-(Nitrobenz-2-oxa-1,3-diazol-4-yl))-7-amino-3alpha,12alpha-dihydroxycholan-24-oyl)-2-aminoethanesulfonate
Synonyms:
(N-(7-(nitrobenz-2-oxa-1,3-diazol-4-yl))-7-amino-3alpha,12alpha-dihydroxycholan-24-oyl)-2-aminoethanesulfonate;7beta-NBD-NCT;nitrobenzoxadiazol-N-cholytaurine;124882-57-1;7beta-Nbd-nct;Nitrobenzoxadiazol-N-cholytaurine;DTXSID80924952;(N-(7-(Nitrobenz-2-oxa-1,3-diazol-4-yl))-7-amino-3alpha,12alpha-dihydroxycholan-24-oyl)-2-aminoethanesulfonate;2-(((3alpha,5beta,7beta,12alpha)-3,12-dihydroxy-7-((7-nitro-4-benzofurazanyl)amino)-24-oxocholan-24-yl)amino)ethanesulfonic acid;2-[[(4R)-4-[(3R,5R,7S,10S,12S,13R,17R)-3,12-dihydroxy-10,13-dimethyl-7-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid;3,12-Dihydroxy-7-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-N-(2-sulfoethyl)cholan-24-imidic acid;Ethanesulfonic acid, 2-(((3alpha,5beta,7beta,12alpha)-3,12-dihydroxy-7-((7-nitro-4-benzofurazanyl)amino)-24-oxocholan-24-yl)amino)-

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

Molecular Weight：

677.8 g/mol

Exact Mass：

677.30944927 g/mol

Characteristics

PSA：

229 Å²

Drug Information

MeSH Entry Terms：

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

Computed Properties

Molecular Weight:677.8
XLogP3:3.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:9
Exact Mass:677.30944927
Monoisotopic Mass:677.30944927
Topological Polar Surface Area:229
Heavy Atom Count:47
Complexity:1280
Defined Atom Stereocenter Count:8
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

Basic Attributes
Characteristics
Drug Information
Computed Properties

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