TRIPTORELIN PAMOATE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Salt-form
UNII 08AN7WA2G0

Structure

InChI Key DOAUJQIXRPCCEI-VQSBKBPESA-N
Smiles N.CC(C)CC(NC(=O)C(CC1=CCc2ccccc12)NC(=O)C(Cc3ccc(O)cc3)NC(=O)C(CO)NC(=O)C(CCc4ccccc4NC=C)NC(=O)C(CC(=O)C5CCC(=O)N5)Cc6[nH]cnc6)C(=O)NC(CCCNC(N)=N)C(=O)CN7CCCC7C(=O)NCC(N)=O.OC(=O)c8cc9ccccc9c(Cc%10c(O)c(cc%11ccccc%10%11)C(O)=O)c8O
InChI
InChI=1S/C68H90N16O13/c1-4-73-48-14-8-6-12-42(48)21-24-51(79-61(91)44(31-45-34-72-38-76-45)33-57(87)50-25-26-60(90)77-50)62(92)83-55(37-85)66(96)81-53(30-40-17-22-46(86)23-18-40)64(94)82-54(32-43-20-19-41-11-5-7-13-47(41)43)65(95)80-52(29-39(2)3)63(93)78-49(15-9-27-74-68(70)71)58(88)36-84-28-10-16-56(84)67(97)75-35-59(69)89/h4-8,11-14,17-18,20,22-23,34,38-39,44,49-56,85-86H,9-10,15-16,19,21,24-33,35-37H2,1-3H3,(H2,69,89)(H,72,76)(H,75,97)(H,77,90)(H,78,93)(H,79,91)(H,80,95)(H,81,96)(H,82,94)(H,83,92)(H4,70,71,74)/b73-4-

Physicochemical Descriptors

Property Name Value
Molecular Formula C68H90N16O13
Molecular Weight 1338.69
AlogP 7.76
Hydrogen Bond Acceptor 17.0
Hydrogen Bond Donor 16.0
Number of Rotational Bond 38.0
Polar Surface Area 485.58
Heavy Atoms 97.0

Cross References

Resources Reference
CAS NUMBER 124508-66-3
NORMAN SUSDAT
FDA SRS 08AN7WA2G0
CONTENTS