Chemical identity

[O1(AC)]8-Octreotide

CAS 133304-81-1 · C51H68N10O11S2

01Identity

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

Lazychem IDLC-00990
PubChem CID14650202
Name[O1(AC)]8-Octreotide
CAS RN133304-81-1
Molecular formulaC51H68N10O11S2
Molecular weight1061.28 g/mol
IUPAC name(D-Phenylalanyl-L-cysteinyl-L-phenylalanyl-D-tryptophyl-L-lysyl-L-threonyl-N-[(2R,3R)-1-acetoxy-3-hydroxybutan-2-yl]-Lcysteinamide cyclic (2→7)-disulfide)
InChIKeyKCIXTRWISIYAAS-UHFFFAOYSA-N

02Structure identifiers

2D structurePubChem CID 14650202
Two-dimensional chemical structure of [O1(AC)]8-Octreotide, CAS 133304-81-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon. These statements are calculated from the published structure string.

Defined stereocentres0
Unassigned stereocentres10
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(COC(=O)C)C(C)O)O
InChINot listed
Formula from structureC51H68N10O11S2
Molecular weight from structure1061.28 g/mol

03Stereochemistry

The published structure contains 0 defined and 10 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres10Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 1,024Before 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 133304-81-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 133304-81-1 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

Octreotide

View API and impurity family

Other names

  • [(2R, 3R)-2-[[(4R, 7S, 10S, 13R, 16S, 19R)-10-(4-aminobutyl)-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-benzyl-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6, 9, 12, 15, 18-pentaoxo-1, 2-dithia-5, 8, 11, 14, 17-pentazacycloicosane-4-carbonyl]amino]-3-hydroxybutyl] acetate
  • O-Acetyl Octreotide
  • 133304-81-1
  • (L-Threoninol(Ac)?)-Octreotide acetate

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