Chemical identity

2-Hydroxy Atorvastatin tert-Butyl Ester-D5

CAS not listed · C37H43FN2O6

01Identity

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

Lazychem IDLC-01943
PubChem CID175665440
Name2-Hydroxy Atorvastatin tert-Butyl Ester-D5
CAS RNNot listed
Molecular formulaC37H43FN2O6
Molecular weight635.8 g/mol
IUPAC nametert-butyl 7-[2-(4-fluorophenyl)-4-[(2-hydroxyphenyl)carbamoyl]-3-(2,3,4,5,6-pentadeuteriophenyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
InChIKeySPLSOBSINHEOSA-FQGWPHPPSA-N

02Structure identifiers

2D structurePubChem CID 175665440
Two-dimensional chemical structure of 2-Hydroxy Atorvastatin tert-Butyl Ester-D5
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres2
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILES[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(N(C(=C2C(=O)NC3=CC=CC=C3O)C(C)C)CCC(CC(CC(=O)OC(C)(C)C)O)O)C4=CC=C(C=C4)F)[2H])[2H]
InChINot listed
Formula from structureC37H43FN2O6
Molecular weight from structure635.8 g/mol

03Stereochemistry

The published structure contains 0 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres2Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 4Before 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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Atorvastatin

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