Chemical identity

3,5-Bis(tert-butyldimethylsilyl) Simvastatin Hydroxy Acid 7-Azabenzotriazole Ester

CAS 1217685-81-8 · C42H70N4O6Si2

01Identity

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

Lazychem IDLC-02709
PubChem CID71314052
Name3,5-Bis(tert-butyldimethylsilyl) Simvastatin Hydroxy Acid 7-Azabenzotriazole Ester
CAS RN1217685-81-8
Molecular formulaC42H70N4O6Si2
Molecular weight783.20 g/mol
IUPAC nametriazolo[4,5-b]pyridin-3-yl (3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]heptanoate
InChIKeyJENQVTPDGXSWAX-ZLQOSCAHSA-N

02Structure identifiers

2D structurePubChem CID 71314052
Two-dimensional chemical structure of 3,5-Bis(tert-butyldimethylsilyl) Simvastatin Hydroxy Acid 7-Azabenzotriazole Ester, CAS 1217685-81-8
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, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Unassigned stereocentres0
Ring count4
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](C[C@H](CC(=O)ON3C4=C(C=CC=N4)N=N3)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C
InChINot listed
Formula from structureC42H70N4O6Si2
Molecular weight from structure783.20 g/mol

03Stereochemistry

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

Defined centres7Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 128Before 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 1217685-81-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1217685-81-8 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

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