Chemical identity

Simvastatin EP Impurity I/ Simvastatin Methylpropanoyl Analog/ 2'-Ethyl Simvastatin

CAS 79902-42-4 · C23H34O5

01Identity

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

Lazychem IDLC-28104
PubChem CID12953865
NameSimvastatin EP Impurity I/ Simvastatin Methylpropanoyl Analog/ 2'-Ethyl Simvastatin
CAS RN79902-42-4
Molecular formulaC23H34O5
Molecular weight390.51 g/mol
IUPAC name(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylpropanoate
InChIKeyKJXWSYMXRPCCCZ-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 12953865
Two-dimensional chemical structure of Simvastatin EP Impurity I/ Simvastatin Methylpropanoyl Analog/ 2'-Ethyl Simvastatin, CAS 79902-42-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres7
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)C(C)C
InChINot listed
Formula from structureC23H34O5
Molecular weight from structure390.51 g/mol

03Stereochemistry

The published structure contains 0 defined and 7 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres7Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 128Before symmetry reduction

Published same-connectivity configurations

2 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.

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 / RCSNO EXACT MATCH FOUNDCAS 79902-42-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 79902-42-4 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Simvastatin

View API and impurity family

Other names

  • Simvastatin EP Impurity I
  • Simvastatin Methylpropanoyl Analog
  • 2'-Ethyl Simvastatin
  • 2-Methylpropanoic Acid [1S-[1?, 3?, 7?, 8?(2S*, 4S*), 8a?]]-1, 2, 3, 7, 8, 8a-Hexahydro-3, 7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl Ester

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