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Hyocholic acid

Hyocholic acid structure

CAS No:
547-75-1
Formula:
C24H40O5
Chemical Name:
Hyocholic acid
Synonyms:
Cholan-24-oic acid,3,6,7-trihydroxy-,(3α,5β,6α,7α)-;5β-Cholan-24-oic acid,3α,6α,7α-trihydroxy-;5β-Cholanic acid,3α,6α,7α-trihydroxy-;(3α,5β,6α,7α)-3,6,7-Trihydroxycholan-24-oic acid;Hyocholic acid;3α,6α,7α-Trihydroxy-5β-cholan-24-oic acid;3α,6α,7α-Trihydroxy-5β-cholanoic acid;γ-Muricholic acid;3α,6α,7α-Trihydroxy-5β-cholanic acid;Iocholic acid;6α-Hydroxychenodeoxycholic acid;α-Hyocholic acid;5β-Cholanic acid-3α,6α,7α-triol;121550-28-5
Categories:
Pharmaceutical Intermediates > Gastrointestinal Agents

Description

ChEBI: A trihydroxy-5beta-cholanic acid in which the three hydroxy substituents are located at the 3alpha-, 6alpha- and 7alpha-positions.

Hyocholic acid is a trihydroxy-5beta-cholanic acid in which the three hydroxy substituents are located at the 3alpha-, 6alpha- and 7alpha-positions. It has a role as a mouse metabolite, a human urinary metabolite and a rat metabolite. It is a C24-steroid, a 6alpha-hydroxy steroid, a 7alpha-hydroxy steroid and a member of muricholic acids. It is a conjugate acid of a hyocholate.

Hyocholic acid Basic Attributes

Molecular Weight：

408.571

Exact Mass：

408.57

EC Number：

208-935-8

UNII：

2H5H0Q47FL

Characteristics

PSA：

97.99000

XLogP3：

3.82

Density：

1.2±0.1 g/cm3

Melting Point：

162 °C

Boiling Point：

565.7±40.0 °C at 760 mmHg

Flash Point：

310.0±23.8 °C

Refractive Index：

1.558

Collision Cross Section：

206 Å² [M-H]- [CCS Type: DT, Method: stepped-field]|190.1 Å² [M-H]- [CCS Type: DT, Method: single field calibrated]|196.4 Å² [M-H2O-H]- [CCS Type: DT, Method: single field calibrated]|197.8 Å² [M-H2O+HCOO]- [CCS Type: DT, Method: single field calibrated]|203.3 Å² [M+H-2H2O]+ [CCS Type: DT, Method: single field calibrated]|199.6 Å² [M+H-H2O]+ [CCS Type: DT, Method: single field calibrated]|202.5 Å² [M+HCOO]- [CCS Type: DT, Method: single field calibrated]|209.2 Å² [M+K-H+HCOO]- [CCS Type: DT, Method: single field calibrated]|197 Å² [M+Na-2H]- [CCS Type: DT, Method: single field calibrated]|200.1 Å² [M+Na-H+Cl]- [CCS Type: DT, Method: single field calibrated]|206.8 Å² [M+Na-H+HCOO]- [CCS Type: DT, Method: single field calibrated]|218.4 Å² [M+Na]+ [CCS Type: DT, Method: single field calibrated]|204.2 Å² [M-H]-

Drug Information

Metabolism/Metabolites：

Hyocholic acid has known human metabolites that include hyocholic acid 24-O-glucuronide and hyocholic acid 6-O-glucuronide.

MeSH Entry Terms：

3 alpha,6 alpha,7 beta-trihydroxy-5 beta-cholanoic acid

Hyocholic acid Use and Manufacturing

Uses

3α,6α,7α-Trihydroxy-5β-cholanic Acid is one of the bile acids categorizes under muricholic acid, a group of bile acids found in human urine due to its additional hydroxyl groups. The synthesis of 3α,6 α,7α-Trihydroxy-5β-cholanic Acid was shown to be promoted due to overexpression of cholesterol 7α-hydroxylase enzyme.

Use Classification：

Lipids -> Sterol Lipids [ST] -> Bile acids and derivatives [ST04] -> C24 bile acids, alcohols, and derivatives [ST0401]

Computed Properties

Molecular Weight:408.6
XLogP3:3.9
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:408.28757437
Monoisotopic Mass:408.28757437
Topological Polar Surface Area:98
Heavy Atom Count:29
Complexity:637
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Related Drugs

Huodan Drop Pills
Ingredients	Pig bile acid, Patchouli oil. The auxiliary material is polyethylene glycol ().
Indication	If used with other drugs, drug interactions may occur. Please consult your doctor or pharmacist for details.
Specifications	Each pill weighs 50mg
Manufacturer	Shanghai Lei Yun Shang Pharmaceutical Co., Ltd.

Huodan Drop Pills
Ingredients	Pig bile acid, Patchouli oil. The auxiliary material is polyethylene glycol ().
Indication	If used with other drugs, drug interactions may occur. Please consult your doctor or pharmacist for details.
Specifications	Each pill weighs 50mg
Manufacturer	Shanghai Lei Yun Shang Pharmaceutical Co., Ltd.

Recommended Suppliers of Hyocholic acid

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Hyocholic Acid 547-75-1

CAS No.: 547-75-1

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CAS No.: 547-75-1

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