Chemical identity

Cyclosporin V / Cyclosporin Impurity E / 1-[(2S)-2-Aminobutanoic acid]cyclosporin A

CAS 108027-46-9 · C63H113N11O12

01Identity

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

Lazychem IDLC-11620
PubChem CID121480897
NameCyclosporin V / Cyclosporin Impurity E / 1-[(2S)-2-Aminobutanoic acid]cyclosporin A
CAS RN108027-46-9
Molecular formulaC63H113N11O12
Molecular weight1216.70 g/mol
IUPAC name(3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-15,30-diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,19,25,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
InChIKeyRVYSEKGVPXFKBH-FRGIQLLGSA-N

02Structure identifiers

2D structurePubChem CID 121480897
Two-dimensional chemical structure of Cyclosporin V / Cyclosporin Impurity E / 1-[(2S)-2-Aminobutanoic acid]cyclosporin A, CAS 108027-46-9
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(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)CC(C)C)C)C(C)C)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
InChINot listed
Formula from structureC63H113N11O12
Molecular weight from structure1216.70 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 108027-46-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 108027-46-9 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

Cyclosporin

View API and impurity family

Other names

  • Cyclosporin Impurity E
  • Cyclosporin V
  • 1-[(2S)-2-Aminobutanoic acid]cyclosporin A
  • 108027-46-9
  • Cyclosporin V (Ciclosporin EP Impurity E)
  • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-15,30-Diethyl-33-((1R,2R,E)-1-hydroxy-2-methylhex-4-en-1-yl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,19,25,28-octamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
  • [Abu 1]ciclosporin A
  • Cyclosporin A, 1-[(2S)-2-aminobutanoic acid]-
  • 466WP38UQW
  • SCHEMBL17921928
  • Ciclosporin V (Cyclosporin Impurity E)
  • AC182575

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