Chemical identity

3'(S)-Hydroxy Pravastatin-tetranor-Glucuronide

CAS not listed · C25H38O12

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-02768
PubChem CID169501928
Name3'(S)-Hydroxy Pravastatin-tetranor-Glucuronide
CAS RNNot listed
Molecular formulaC25H38O12
Molecular weight530.6 g/mol
IUPAC name6-[[(2S,4S,4aR,5S,6S)-5-(3,3-dihydroxypropyl)-4-[(2S)-3-hydroxy-2-methylbutanoyl]oxy-6-methyl-2,3,4,4a,5,6-hexahydronaphthalen-2-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyJEHQZKNMPKJDSX-JUYGPVLDSA-N

02Structure identifiers

2D structurePubChem CID 169501928
2D structure: 3'(S)-Hydroxy Pravastatin-tetranor-Glucuronide
Structure of 3'(S)-Hydroxy Pravastatin-tetranor-Glucuronide. LazyChem record. Source identity: PubChem CID 169501928. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC25H38O12
InChIKeyJEHQZKNMPKJDSX-JUYGPVLDSA-N
Ring count3
Defined stereocentres6
Unassigned stereocentres6
SMILESC[C@H]1C=CC2=C[C@H](C[C@@H]([C@@H]2[C@H]1CCC(O)O)OC(=O)[C@@H](C)C(C)O)OC3C(C(C(C(O3)C(=O)O)O)O)O
InChIInChI=1S/C25H38O12/c1-10-4-5-13-8-14(35-25-21(31)19(29)20(30)22(37-25)23(32)33)9-16(36-24(34)11(2)12(3)26)18(13)15(10)6-7-17(27)28/h4-5,8,10-12,14-22,25-31H,6-7,9H2,1-3H3,(H,32,33)/t10-,11-,12?,14+,15-,16-,18-,19?,20?,21?,22?,25?/m0/s1

03Stereochemistry

The published structure contains 6 defined and 6 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres62D structure
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 4,096Before symmetry reduction

Published same-connectivity configurations

1 record

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESNo CAS number is available for an exact comparison. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Pravastatin

View API and impurity family

Other names

No synonyms are listed.

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources