Chemical identity

Simvastatin EP Impurity C/ Simvastatin Related Compound C / 2,3-Anhydro Simvastatin / Dehydro Simvastatin / Simvastatin Dehydration Product

CAS 210980-68-0 · C25H36O4

01Identity

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

Lazychem IDLC-28099
PubChem CID58855087
NameSimvastatin EP Impurity C/ Simvastatin Related Compound C / 2,3-Anhydro Simvastatin / Dehydro Simvastatin / Simvastatin Dehydration Product
CAS RN210980-68-0
Molecular formulaC25H36O4
Molecular weight400.55 g/mol
IUPAC name(1S,3R,7S,8S,8aR)-3,7-Dimethyl-8-[2-[(2R)-6-oxo-3,6-dihydro-2H-pyran-2-yl]ethyl]-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate
InChIKeyBIYWBTKPNWCYHM-RLSQPJRHSA-N

02Structure identifiers

2D structurePubChem CID 58855087
Two-dimensional chemical structure of Simvastatin EP Impurity C/ Simvastatin Related Compound C / 2,3-Anhydro Simvastatin / Dehydro Simvastatin / Simvastatin Dehydration Product, CAS 210980-68-0
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, has 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCCC(C)(C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3CC=CC(=O)O3)C
InChINot listed
Formula from structureC25H36O4
Molecular weight from structure400.55 g/mol

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 / RCSNO EXACT MATCH FOUNDCAS 210980-68-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 210980-68-0 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 C
  • Dehydro Simvastatin
  • Simvastatin Dehydration Product
  • 2,3-Anhydro Simvastatin Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-8-(2-((2R)-3,6-dihydro-6-oxo-2H-pyran-2-yl)ethyl)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-1-naphthalenyl ester
  • Simvastatin Related Compound C

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