Chemical identity

Pravastatin Dihydrodiol

CAS 124409-20-7 · C23H38O9

01Identity

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

Lazychem IDLC-25813
PubChem CID76970261
NamePravastatin Dihydrodiol
CAS RN124409-20-7
Molecular formulaC23H38O9
Molecular weight458.5 g/mol
IUPAC name(3R,5R)-7-[(1S,2R,3S,5R,6S,8S,8aR)-3,5,6-trihydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid
InChIKeyVVBBIFAPOZVEDR-RCGTXINMSA-N

02Structure identifiers

2D structurePubChem CID 76970261
2D structure: Pravastatin Dihydrodiol, CAS 124409-20-7
Structure of Pravastatin Dihydrodiol (CAS 124409-20-7). LazyChem record. Source identity: PubChem CID 76970261. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC23H38O9
InChIKeyVVBBIFAPOZVEDR-RCGTXINMSA-N
Ring count2
Defined stereocentres10
Unassigned stereocentres0
SMILESCC[C@H](C)C(=O)O[C@H]1C[C@@H]([C@@H](C2=C[C@H]([C@@H]([C@@H]([C@@H]12)CC[C@H](C[C@H](CC(=O)O)O)O)C)O)O)O
InChIInChI=1S/C23H38O9/c1-4-11(2)23(31)32-19-10-18(27)22(30)16-9-17(26)12(3)15(21(16)19)6-5-13(24)7-14(25)8-20(28)29/h9,11-15,17-19,21-22,24-27,30H,4-8,10H2,1-3H3,(H,28,29)/t11-,12+,13+,14+,15-,17+,18-,19-,21+,22+/m0/s1

03Stereochemistry

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

Defined stereocentres102D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,024Before 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 ENTRIESCAS 124409-20-7 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 124409-20-7 was not found in the reviewed exact-CAS mapping. 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