Identidad

Allochenodeoxycholic Acid/ Allochenodeoxycholate/ Chenodeoxycholic Acid/ 3alpha,7alpha-Dihydroxy-5alpha-cholan-24-oic Acid

CAS 15357-34-3 · C24H40O4

01Identidad

Lazychem IDLC-05452
CAS RN15357-34-3
PubChem CID5283827
Molecular formulaC24H40O4
Molecular weight392.58 g/mol
IUPAC name(R)-4-((3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic Acid
InChIKeyRUDATBOHQWOJDD-IKAPKQLESA-N

02Estructura y estereoquímica

2D structurePubChem CID 5283827
Two-dimensional chemical structure of Allochenodeoxycholic Acid/ Allochenodeoxycholate/ Chenodeoxycholic Acid/ 3alpha,7alpha-Dihydroxy-5alpha-cholan-24-oic Acid, CAS 15357-34-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres10
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)C
InChINo indicado

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,024Before symmetry reduction

Published same-connectivity configurations

8 records

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Estado en India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Nombres y relaciones

API y fármaco de origen

Ursodeoxycholic acid

Impurezas y compuestos relacionados

Nombres y relaciones

  • Chenodeoxycholic Acid Impurity 1
  • Allochenodeoxycholic Acid
  • Allochenodeoxycholate/ Chenodeoxycholic Acid/ 3alpha, 7alpha-Dihydroxy-5alpha-cholan-24-oic Acid
  • 15357-34-3
  • 3alpha,7alpha-Dihydroxy-5alpha-cholan-24-oic Acid
  • DTXSID801312698
  • RefChem:1076355
  • DTXCID201742520
  • Allochenodeoxycholate
  • (4R)-4-[(3R,5R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
  • (3alpha,5alpha,7alpha)-3,7-Dihydroxycholan-24-oic acid
  • (3

Impurezas y compuestos relacionados

06Fuentes