U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C70H92ClN17O14
Molecular Weight 1431.038
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETRORELIX

SMILES

CC(C)C[C@H](NC(=O)[C@@H](CCCNC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC2=CN=CC=C2)NC(=O)[C@@H](CC3=CC=C(Cl)C=C3)NC(=O)[C@@H](CC4=CC5=CC=CC=C5C=C4)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=SBNPWPIBESPSIF-MHWMIDJBSA-N
InChI=1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CETRORELIX
EMA EPAR   HSDB   INN   MI   ORANGE BOOK   VANDF   WHO-DD  
INN  
Official Name English
N-ACETYL-3-(2-NAPHTHYL)-D-ALANYL-P-CHLORO-D-PHENYLALANYL-3-(3-PYRIDYL)-D-ALANYL-L-SERYL-L-TYROSYL-N(SUP 5)-CARBAMOYL-D-ORNITHYL-L-LEUCYL-L-ARGINYL-L-PROLYL-D-ALANINAMIDE
Common Name English
CETRORELIX [VANDF]
Common Name English
CETRORELIX [EMA EPAR]
Common Name English
Cetrorelix [WHO-DD]
Common Name English
CETRORELIX [ORANGE BOOK]
Common Name English
CETRORELIX [MI]
Common Name English
CETRORELIX [HSDB]
Common Name English
cetrorelix [INN]
Common Name English
Classification Tree Code System Code
NDF-RT N0000175839
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
NCI_THESAURUS C2092
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
NDF-RT N0000175084
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
WHO-VATC QH01CC02
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
WHO-ATC H01CC02
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
EMA ASSESSMENT REPORTS CETROTIDE (AUTHORIZED: OVULATION INDUCTION)
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
NDF-RT N0000008638
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
Code System Code Type Description
ChEMBL
CHEMBL1200490
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
DRUG BANK
DB00050
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
FDA UNII
OON1HFZ4BA
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
CAS
120287-85-6
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
INN
6661
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
CHEBI
59224
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
SMS_ID
100000085454
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
NCI_THESAURUS
C2481
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
PUBCHEM
25074887
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
EVMPD
SUB07459MIG
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
IUPHAR
1190
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
WIKIPEDIA
CETRORELIX
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
DRUG CENTRAL
583
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
MERCK INDEX
m3295
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY Merck Index
RXCUI
68147
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY RxNorm
DAILYMED
OON1HFZ4BA
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID7040996
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY
HSDB
7696
Created by admin on Fri Dec 15 15:32:31 UTC 2023 , Edited by admin on Fri Dec 15 15:32:31 UTC 2023
PRIMARY