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taurodehydrocholate

taurodehydrocholate structure

CAS No:
517-37-3
Formula:
C26H39NO7S
Chemical Name:
taurodehydrocholate
Synonyms:
taurodehydrocholate;taurodehydrocholate sodium salt;TAURODEHYDROCHOLIC ACID;2-[[(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]amino]ethanesulfonic acid;TDHCA;DTXSID70965970;CHEBI:166741;ZINC13541874;3,7,12-triketo-5beta-cholanoyl taurine

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Description

Taurodehydrocholic acid is a bile acid taurine conjugate.

taurodehydrocholate Basic Attributes

Molecular Weight：

509.658

Exact Mass：

509.245

Characteristics

PSA：

143

XLogP3：

1.2

Density：

1.254±0.06 g/cm3(Predicted)

Melting Point：

237-238 °C

Drug Information

MeSH Entry Terms：

taurodehydrocholate

Computed Properties

Molecular Weight:509.7
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:509.24472376
Monoisotopic Mass:509.24472376
Topological Polar Surface Area:143
Heavy Atom Count:35
Complexity:1020
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of taurodehydrocholate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties

taurodehydrocholate

SDS

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