Product Code
TRC-T815800
CAS Number
Product Format
Neat
Molecular Formula
C64 H82 N18 O13 . x C2 H4 O2
Molecular Weight
1371.53
Product Categories
Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , TRC
Purity
>95% (HPLC)
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DismissAnalyte Name
Triptorelin Acetate Salt
CAS Number
160296-12-8
Molecular Formula
C64 H82 N18 O13 . x C2 H4 O2
Molecular Weight
1371.53
Accurate Mass
1370.65
SMILES
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](Cc6c[nH]cn6)NC(=O)[C@@H]7CCC(=O)N7)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)NCC(=O)N.CC(=O)O
InChI
InChI=1S/C64H82N18O13.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t44-,45-,46-,47-,48+,49-,50-,51-,52-;/m0./s1
IUPAC
(S)-N-(2-amino-2-oxoethyl)-1-(((S)-5-oxopyrrolidine-2-carbonyl)-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-L-leucyl-L-arginyl)pyrrolidine-2-carboxamide, acetate salt
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
API Family
Purity
>95% (HPLC)
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