Chemical identity

31-O-Desmethyl Tacrolimus Impurity

CAS 135635-47-1 · C43H67NO12

01Identity

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

Lazychem IDLC-04362
PubChem CID6444024
Name31-O-Desmethyl Tacrolimus Impurity
CAS RN135635-47-1
Molecular formulaC43H67NO12
Molecular weight789.99 g/mol
IUPAC name(18E)-17-Allyl-12-[(1E)-1-(3,4-dihydroxycyclohexyl)-1-propen-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
InChIKeyVHOPGJHKSPGXIZ-AMASXYNMSA-N

02Structure identifiers

2D structurePubChem CID 6444024
Two-dimensional chemical structure of 31-O-Desmethyl Tacrolimus Impurity, CAS 135635-47-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres14
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESO=C(C(N1CCCCC1C(OC(/C(C)=C/C2CC(O)C(O)CC2)C(C)C(O)C3)=O)=O)C(O4)(O)C(C)CC(OC)C4C(OC)CC(C)C/C(C)=C/C(CC=C)C3=O
InChINot listed
Formula from structureC43H67NO12
Molecular weight from structure789.99 g/mol

03Stereochemistry

The published structure contains 0 defined and 14 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres14Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 16,384Before 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 135635-47-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 135635-47-1 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

Tacrolimus

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