Analyte Name

Carboprost trometamol

CAS Number

58551-69-2

Molecular Formula

C21 H36 O5 . C4 H11 N O3

Molecular Weight

489.64

Accurate Mass

489.3302

SMILES

CCCCC[C@](C)(O)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(=O)O.NC(CO)(CO)CO

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

IUPAC

2-amino-2-(hydroxymethyl)propane-1,3-diol;(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoic acid

Alternate CAS Number

Free salt: 35700-23-3

Storage Temperature

-20°C

Shipping Temperature

-20°C

Country of Origin

FRANCE

Product Type

API

Product Format

Neat

API Family

Carboprost Trometamol