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Sodium dehydrocholate

Sodium dehydrocholate structure

CAS No:
145-41-5
Formula:
C24H34O5.Na
Chemical Name:
Sodium dehydrocholate
Synonyms:
Cholan-24-oic acid,3,7,12-trioxo-,sodium salt,(5β)-;5β-Cholan-24-oic acid,3,7,12-trioxo-,sodium salt;Dehydrocholic acid sodium salt;Biliton;Carachol;Decholin sodium;Decholin sodium salt;Dehydrocholate sodium;Dilabil sodium;Dycholium;Sodium dehydrocholate;Sodium 3,7,12-triketocholanate;Sodium 3,7,12-trioxo-5β-cholanate;Suprachol;Biliron;1510-17-4
Categories:
Active Pharmaceutical Ingredients > Digestive System Drugs

Description

Dehydrocholic sodium is a hydrocholeretic, increasing bile output to clear increased bile acid load.

A semisynthetic bile acid made from cholic acid. It is used as a cholagogue, hydrocholeretic, diuretic, and as a diagnostic aid.

Sodium dehydrocholate Basic Attributes

Molecular Weight：

424.51

Exact Mass：

424.222565

EC Number：

205-652-1

UNII：

W4193719XR

Characteristics

PSA：

91.34000

XLogP3：

2.73860

Melting Point：

237.5-238.5 °C

Boiling Point：

581.5ºC at 760mmHg

Flash Point：

319.5ºC

Refractive Index：

27 ° (C=5, H2O)

Water Solubility：

H2O: 0.1 M at 20 °C, clear, colorless

Collision Cross Section：

192.1 Å² [M+Na]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

wgk germany：

hazard class code：

22-37

safety instructions：

22-36

RTECS Number：

FZ2500000

Marks：

Drug Information

MeSH：

Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic). (See all compounds classified as Cholagogues and Choleretics.)

MeSH Entry Terms：

(5beta)-3,7,12-Trioxocholan-24-oic Acid

Sodium dehydrocholate Use and Manufacturing

Uses

choleretic

Manufacturing Info：

Cholan-24-oic acid, 3,7,12-trioxo-, sodium salt, (5.beta.)-: INACTIVE

Computed Properties

Molecular Weight:424.5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:424.22256843
Monoisotopic Mass:424.22256843
Topological Polar Surface Area:91.3
Heavy Atom Count:30
Complexity:763
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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