Dehydrocholic acid (CAS 81-23-2) — formula C24H34O5, molecular weight 402.5; category organic chemicals.
| CAS Number | 81-23-2 |
|---|---|
| Molecular Formula | C24H34O5 |
| Molecular Weight | 402.5 |
| Melting Point | 237-240 |
| LogP | 2.6 |
| Applications | General Manufacturing Information: Cholan-24-oic acid, 3, 7, 12-trioxo-, (5.beta.)-: ACTIVE |
| Category | Organic Chemicals |
Documented applications: General Manufacturing Information: Cholan-24-oic acid, 3, 7, 12-trioxo-, (5.beta.)-: ACTIVE.
Dehydrocholic acid is a carbon-based organic compound with CAS registry number 81-23-2 and molecular formula C24H34O5 (molecular weight 402.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 81-23-2
Its molecular formula C24H34O5 comprises 24 C, 34 H, 5 O atoms.
Also known as: Dehydrocholic acid
Category: organic chemicals
The CAS registry number of Dehydrocholic acid is 81-23-2.
Molecular formula C24H34O5, molecular weight 402.5.
It is also registered under: Dehydrocholic acid.
Recorded applications: General Manufacturing Information: Cholan-24-oic acid, 3, 7, 12-trioxo-, (5.beta.)-: ACTIVE.
Category: Organic Chemicals.
Independent reference data for Dehydrocholic acid (CAS 81-23-2), compiled from public chemistry databases.
| CAS Registry Number | 81-23-2 |
|---|---|
| PubChem CID | 6674 |
| Molecular formula | C24H34O5 |
| IUPAC name | (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]pentanoic acid |
| UNII (FDA) | NH5000009I |
| Molecular Weight | 402.5 |
|---|---|
| XLogP3 | 2.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 402.24062418 |
| Monoisotopic Mass | 402.24062418 |
| Topological Polar Surface Area | 88.5 |
| Heavy Atom Count | 29 |
| Melting Point | 237-240 |
|---|
dehydrocholic acid; 81-23-2; Decholin; Dilabil; Procholon; Ketocholanic acid; Triketocholanic acid; 3,7,12-Trioxocholanic acid; 3,7,12-Triketocholanic acid; 3,7,12-Trioxo-5beta-cholan-24-oic acid; 3,7,12-Triketo-5beta-cholanoic acid; 3,7,12-Trioxo-5beta-cholanic acid; DTXSID2022888; NSC-8796; NH5000009I; Cholan-24-oic acid, 3,7,12-trioxo-, (5beta)-
| GHS notification summary | 66.7% (2 / 3) |
|---|
| GHS notification summary | 66.7% (2 / 3) |
|---|---|
| Reported hazard statements | H315 (33.3%), H319 (33.3%), H335 (33.3%) |
This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
Dehydrocholic acid · CAS 81-23-2 · C24H34O5. UNII NH5000009I. Melting Point: 237-240.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: Dehydrocholic acid