chempirical

Carboprost tromethamine

C25H47NO8CAS 58551-69-2489.65 g/mol

Open in Covalent MOL file
HOOOHOHHONH2OHHOOH
AlcoholAlkeneCarboxylic acidPrimary amine

Properties

Molecular formula
C25H47NO8
Molar mass
489.65 g/mol
Exact mass
489.3302 Da
Melting point
95–105 °C
logP
1.09Crippen estimate
Polar surface area
184.7 Ų
H-bond donors / acceptors
8 / 8
Rotatable bonds
15
Stereocentres
S, R, R, S, Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Hazards

Danger
Health Hazard (GHS08)

Aggregated from 33 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number
58551-69-2
SMILES
CCCCC[C@](C)(O)/C=C/[C@@H]1[C@@H](C/C=CCCCC(=O)O)[C@@H](O)C[C@H]1O.NC(CO)(CO)CO
InChIKey
UMMADZJLZAPZAW-XOWPVRJPSA-N
InChI
InChI=1S/C21H36O5.C4H11NO3/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;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/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

9 names
  • Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9α,11α,13E,15S)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1)
  • 1,3-Propanediol, 2-amino-2-(hydroxymethyl)-, (5Z,9α,11α,13E,15S)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oate (salt)
  • Prostinfenem
  • Hemabate
  • Prostodin
  • U 32921E
  • Carboprost trometamol
  • Carboprost tromethamine Salt
  • Prostin 15M

Work with Carboprost tromethamine

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.

Carboprost35700-23-3Free acid Tris77-86-1Free base Dinoprost tromethamine38562-01-5Salt Ketorolac tromethamine74103-07-4Salt Fosfomycin tromethamine78964-85-9Salt Tris(hydroxymethyl)aminomethane hydrochloride1185-53-1Salt S-(+)-Ketoprofen trometamol156604-79-4Salt Lodoxamide tromethamine63610-09-3Salt Tris-acetate6850-28-8Salt Phosphoric acid, mono(4-nitrophenyl) ester, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:2)68189-42-4Salt

Similar compounds

Prostaglandin F2551-11-159 % similar Tafluprost acid209860-88-846 % similar Cloprostenol40665-92-744 % similar D-Cloprostenol54276-21-044 % similar Prostaglandin E2363-24-641 % similar Anhydrohexitol sesquioleate8007-43-040 % similar Ricinoleic acid141-22-039 % similar Leukotriene B471160-24-239 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook