Chemical identity

Cyclosporine Abu-5 impurity

CAS 437611-17-1 · C61H109N11O12

01Identity

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

Lazychem IDLC-11621
PubChem CID25209717
NameCyclosporine Abu-5 impurity
CAS RN437611-17-1
Molecular formulaC61H109N11O12
Molecular weight1188.58 g/mol
IUPAC name(3S,6S,9S,12R,15S,18S,21S,24S,30S)-21,30-diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
InChIKeyIPDSMZFDGQKXHO-AYGVNIPJSA-N

02Structure identifiers

2D structurePubChem CID 25209717
Two-dimensional chemical structure of Cyclosporine Abu-5 impurity, CAS 437611-17-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aliphatic carbon, has 12 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres12
Unassigned stereocentres0
Ring count1
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC[C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N(CC(=O)N([C@H](C(=O)N1)CC(C)C)C)C)CC)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C
InChINot listed
Formula from structureC61H109N11O12
Molecular weight from structure1188.58 g/mol

03Stereochemistry

The published structure contains 12 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres12Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4,096Before 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 437611-17-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 437611-17-1 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

Cyclosporine

View API and impurity family

Other names

  • Cyclosporine Abu-5 impurity / Cyclosporin Impurity 5
  • Cyclosporine Abu-5 Impurity
  • Cyclosporin Impurity 5
  • 10-[(2S)-2-Aminobutanoic acid]cyclosporin A
  • Cyclosporin Impurity 13
  • 437611-17-1
  • [Abu5]cyclosporin
  • Cyclosporin Impurity 31
  • XA32VC7B78
  • SCHEMBL23382301
  • Cyclosporin A, 10-[(2S)-2-aminobutanoic acid]-
  • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-21,30-diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3-isopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone

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