化学标识

Tauroursodiol

未列出 · C24H40O4

01化学标识

Lazychem IDLC-54487
CAS RN未列出
PubChem CID5645
Molecular formulaC24H40O4
Molecular weight392.6 g/mol
IUPAC name4-(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
InChIKeyRUDATBOHQWOJDD-UHFFFAOYSA-N

02结构与立体化学

2D structurePubChem CID 5645
Two-dimensional chemical structure of Tauroursodiol
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. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
SMILESCC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C
InChI未列出

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres10Structure unspecified
Assignment statusUnassignedExact 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.

04印度监管状态

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

05名称与关联

原料药与母体药物

未列出

名称与关联

    杂质与相关化合物

      06来源