Chemical identity

Pravastatin Ethyl Ester

CAS 2727065-87-2 · C25H40O7

01Identity

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

Lazychem IDLC-25829
PubChem CID129318603
NamePravastatin Ethyl Ester
CAS RN2727065-87-2
Molecular formulaC25H40O7
Molecular weight452.6 g/mol
IUPAC nameEthyl (3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoate
InChIKeyMQWNSTZTIROXFB-MJPLUQOHSA-N

02Structure identifiers

2D structurePubChem CID 129318603
2D structure: Pravastatin Ethyl Ester, CAS 2727065-87-2
Structure of Pravastatin Ethyl Ester (CAS 2727065-87-2). LazyChem record. Source identity: PubChem CID 129318603. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC25H40O7
InChIKeyMQWNSTZTIROXFB-MJPLUQOHSA-N
Ring count2
Defined stereocentres8
Unassigned stereocentres0
SMILESCC[C@H](C)C(=O)O[C@H]1C[C@@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)OCC)O)O)O
InChIInChI=1S/C25H40O7/c1-5-15(3)25(30)32-22-13-19(27)11-17-8-7-16(4)21(24(17)22)10-9-18(26)12-20(28)14-23(29)31-6-2/h7-8,11,15-16,18-22,24,26-28H,5-6,9-10,12-14H2,1-4H3/t15-,16-,18+,19+,20+,21-,22-,24-/m0/s1

03Stereochemistry

The published structure contains 8 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres82D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 2727065-87-2 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 2727065-87-2 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