chempirical

Carboprost

C21H36O5CAS 35700-23-3368.51 g/mol

Open in Covalent MOL file
HOOOHOHHO
AlcoholAlkeneCarboxylic acid

Properties

Molecular formula
C21H36O5
Molar mass
368.51 g/mol
Exact mass
368.2563 Da
logP
3.43Crippen estimate
Polar surface area
98.0 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
12
Stereocentres
S, R, R, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
35700-23-3
SMILES
CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=CCCCC(=O)O)[C@@H](O)C[C@H]1O
InChIKey
DLJKPYFALUEJCK-IIELGFQLSA-N
InChI
InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5-,14-12+/t16-,17-,18+,19-,21+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9α,11α,13E,15S)-
  • (5Z,9α,11α,13E,15S)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oic acid
  • (15S)-15-Methylprostaglandin F2α
  • 15-Methylprostaglandin F2α
  • (15S)-15-Methyl-PGF2α
  • 15-Methyl-PGF2α
  • U 32921

Work with Carboprost

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Carboprost tromethamine58551-69-2Salt

Similar compounds

Prostaglandin F2551-11-167 % similar Dinoprost tromethamine38562-01-560 % similar Tafluprost acid209860-88-852 % similar Cloprostenol40665-92-749 % similar D-Cloprostenol54276-21-049 % similar Prostaglandin E2363-24-646 % similar Ricinoleic acid141-22-044 % similar Leukotriene B471160-24-244 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook