Analyte Name

Travoprost-d4 Acid

CAS Number

282550-19-0

Molecular Formula

C23H25D4F3O6

Molecular Weight

462.49

Accurate Mass

462.22

SMILES

OC(CC([2H])(C([2H])(/C=C\C[C@@H]1[C@H]([C@@H](C[C@@H]1O)O)/C=C/[C@H](COC2=CC=CC(C(F)(F)F)=C2)O)[2H])[2H])=O

InChI

InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1/i2D2,4D2

IUPAC

(Z)-7-((1R,2R,3R,5S)-3,5-dihydroxy-2-((R,E)-3-hydroxy-4-(3-(trifluoromethyl)phenoxy)but-1-en-1-yl)cyclopentyl)hept-5-enoic-3,3,4,4-d4 acid

Unlabelled CAS Number

54276-17-4

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat