Analyte Name

Triptorelin Trifluoroacetic Acid Salt-d5

Molecular Formula

C64H77D5N18O13 + x(C2HF3O2)

Molecular Weight

1316.4811402

SMILES

O=C([C@H](CC1=CC=C(O)C=C1)NC([C@H](CO)NC(C(CC2=CNC3=C2C=CC=C3)NC(C(CC4=CN=CN4)NC([C@H](CC5)NC5=O)=O)=O)=O)=O)N[C@@H](C(N[C@@H](CC(C)C([2H])([2H])[2H])C(NC(CCCNC(N)=N)C(N6CCC[C@@H]6C(NC([2H])([2H])C(N)=O)=O)=O)=O)=O)CC7=CNC8=CC=CC=C87

InChI

InChI=1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45?,46-,47-,48+,49?,50?,51-,52+/m0/s1/i1D3,31D2/t34?,44-,45?,46-,47-,48+,49?,50?,51-,52+

Unlabelled CAS Number

Free base: 57773-63-4

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API; Stable Isotope Labelled

Product Format

Neat

API Family

Triptorelin Pamoate; Triptorelin