Chemical identity

15-Keto Travoprost

CAS 404830-45-1 · C26H33F3O6

01Identity

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

Lazychem IDLC-04201
PubChem CID10207075
Name15-Keto Travoprost
CAS RN404830-45-1
Molecular formulaC26H33F3O6
Molecular weight498.53 g/mol
IUPAC name(5Z)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E)-3-oxo-4-[3-(trifluoromethyl)phenoxy]-1-butenyl]cyclopentyl]-5-heptenoic Acid 1-Methylethyl Ester
InChIKeyKSDDYCRRTVADFZ-OHDKTVHDSA-N

02Structure identifiers

2D structurePubChem CID 10207075
Two-dimensional chemical structure of 15-Keto Travoprost, CAS 404830-45-1
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 4 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(=O)COC2=CC=CC(=C2)C(F)(F)F)O)O
InChINot listed
Formula from structureC26H33F3O6
Molecular weight from structure498.53 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 16Before 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 404830-45-1 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 404830-45-1 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

Travoprost

View API and impurity family

Other names

  • 15-Keto travoprost
  • 404830-45-1
  • 15-Oxo travoprost
  • UNII-4U2P9U9Z66
  • (Z)-Isopropyl 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((E)-3-oxo-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)hept-5-enoate
  • 4U2P9U9Z66
  • (5Z,13E)-(9S,11R)-9,11,-Dihydroxy-15-oxo-16-(m-trifluoromethylphenoxy)-17,18,19,20-tetranor-5,13-prostadienoic acid, isopropyl ester
  • 5-Heptenoic acid, 7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((1E)-3-oxo-4-(3-(trifluoromethyl)phenoxy)-1-buten-1-yl)cyclopentyl)-, 1-methylethyl ester, (5Z)-
  • Travoprost impurity, 15-keto derivative-(USP)
  • TRAVOPROST IMPURITY, 15-KETO DERIVATIVE-(USP IMPURITY)
  • RefChem:197147
  • 15-keto Fluprostenol isopropyl ester

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