(E)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(3S)-3-hydroxy-3-methyloct-1-enyl)cyclopentyl)-5-heptenoic acid
Basic information
- CAS
76498-29-8- Standard SMILES
CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=C/CCCC(=O)O)[C@@H](O)C[C@H]1O- InChIKey
DLJKPYFALUEJCK-MRVZPHNRSA-N- Molecular formula
- C21H36O5
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.25627424
Names & identifiers
- Preferred name
- (E)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(3S)-3-hydroxy-3-methyloct-1-enyl)cyclopentyl)-5-heptenoic acid
- IUPAC
- (E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid
- English name
- trans-Carboprost
- Molecular formula
- C21H36O5
- Molecular weight
- 368.51
Names & synonyms
trans-Carboprost76498-29-8V0STI57XNUtrans-Carboprost [USP]UNII-V0STI57XNUProsta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5E,9alpha,11alpha,13E,15S)-(E)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(3S)-3-hydroxy-3-methyloct-1-enyl)cyclopentyl)-5-heptenoic acidTRANS-CARBOPROST [USP IMPURITY]trans-Carboprost (USP)TRANS-CARBOPROST (USP IMPURITY)RefChem:196547PROSTA-5,13-DIEN-1-OIC ACID, 9,11,15-TRIHYDROXY-15-METHYL-, (5E,9.ALPHA.,11.ALPHA.,13E,15S)-
Show more names
(5E)-7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(1E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic AcidCarprost impurity ACarboprost Impurity 2trans-Carboprost Impurity5,6-trans-Carboprost Tromethamine SaltCarboprost Trometamol EP Impurity A (trans-Carboprost)Carboprost Trometamol EP Impurity A：Carboprost Trometamol Impurity A
Carboprost Trometamol EP Impurity A(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid(E)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((S,E)-3-hydroxy-3-methyloct-1-en-1-yl)cyclopentyl)hept-5-enoic acidSCHEMBL340643CHEMBL1909299DLJKPYFALUEJCK-MRVZPHNRSA-NProsta-5,13-dien-1-oicacid, 9,11,15-trihydroxy-15-methyl-, (5Z,9a,11a,13E,15S)-AKOS015892797
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 98 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Physicochemical properties
- Stability
- Light Sensitive, Unstable in Solution
- FDA UNII
- 0 STI57XNU · V0STI57XNU
Chemistry & industry
Applications
Usestrans-Carboprost is the 5-trans isomer of Carboprost (C177580); an analog of prostaglandin F2α. Oxytocic.
Related reactions
5 records
Compound notes
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