CARBOPROST
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
Molecular Identity
CARBOPROST
(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
PubChem CID: 5281075
Carboprost is prostaglandin F2alpha in which the hydrogen at position 15 is substituted by methyl (S configuration). It is used as an abortifacient agent that is effective in both the first and second trimesters of pregnancy. It has a role as an oxytocic and an abortifacient. It is functionally related to a prostaglandin F2alpha. It is a conjugate acid of a carboprost(1-).
2D Structure
Properties
C21H36O5
Molecular Formula
368.50
Molecular Weight
g/mol
368.2563
Exact Mass
Da
2.9
XLogP
Drug-like (Lipinski: < 5)
98
TPSA
Good oral absorption (< 140 A²)
4
H-Bond Donors
5
H-Bond Acceptors
473
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
CARBOPROST35700-23-3CarboprostumMethyl-pgf2-alphaProstin 15M(15S)-15-Methylprostaglandin F2alpha(15S)-15-Methyl-PGF2alphaDTXSID40227397B5032XT6OU 32921U-32921U-32,921CHEBI:3403(5Z,9alpha,11alpha,13E,15S)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oic acidProsta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9alpha,11alpha,13E,15S)-
Data from PubChem (NCBI)
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