MetaADEDB 2.0 @ LMMD
cetrorelix
(KFEFLCOCAHJBEA-ANRVCLKPSA-N)
Structure
SMILES
CC(=O)O.OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCN=C(N)N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(cc1)Cl)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C
Molecular Formula:
C72H96ClN17O16
Molecular Weight:
1491.090
Log P:
6.0232
Hydrogen Bond Acceptor:
33
Hydrogen Bond Donor:
17
TPSA:
535.47
CAS Number(s):
145672-81-7; 1631741-31-5
Synonym(s)
1.
cetrorelix
2.
Cetrotide
3.
LHRH, N-Ac-1-Nal(2)-2-Phe(pCl)-3-Pal(3)-6-Cit-10-Ala-
4.
LHRH, N-acetyl-1-(3-(2-naphthyl)alanyl)-2-(4-chlorophenylalanyl)-3-(3-(3-pyridyl)alanyl)-6-citrulline-10-alanine-
5.
N-acetyl-1-(3-(2-naphthyl)alanine)-2-(4-chlorophenylalanine)-3-(3-(3-pyridyl)alanine)-6-citrulline-10-alanine-LHRH
6.
SB 75
7.
SB-75
8.
cetrorelix acetate
9.
cetrorelix pamoate
External Link(s)
MeSHC062876
PubChem Compound25078429
BindingDB50248241
ChEBI31387
CHEMBLCHEMBL2103735
KEGGdr:D01685
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Drug ineffectiveCanada Vigilance: 1Canada Vigilance
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