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Details

Stereochemistry ABSOLUTE
Molecular Formula C82H103ClN18O16
Molecular Weight 1632.259
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEGARELIX

SMILES

[H][C@]1(CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(NC(N)=O)C=C2)NC(=O)[C@H](CC3=CC=C(NC(=O)[C@@H]4CC(=O)NC(=O)N4)C=C3)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)[C@@H](CC6=CC=C(Cl)C=C6)NC(=O)[C@@H](CC7=CC=C8C=CC=CC8=C7)NC(C)=O)C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=MEUCPCLKGZSHTA-XYAYPHGZSA-N
InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1

HIDE SMILES / InChI

Molecular Formula C82H103ClN18O16
Molecular Weight 1632.259
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 6
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:31:47 UTC 2023
Edited
by admin
on Fri Dec 15 15:31:47 UTC 2023
Record UNII
SX0XJI3A11
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEGARELIX
DASH   EMA EPAR   HSDB   INN   MART.   MI   USAN   VANDF   WHO-DD  
USAN   INN  
Official Name English
FE200486 ANHYDROUS FREE BASE
Code English
FE-200486 ANHYDROUS FREE BASE
Code English
DEGARELIX [USAN]
Common Name English
DEGARELIX [HSDB]
Common Name English
DEGARELIX [MART.]
Common Name English
DEGARELIX [VANDF]
Common Name English
DEGARELIX ACETATE [JAN]
Common Name English
Degarelix [WHO-DD]
Common Name English
degarelix [INN]
Common Name English
DEGARELIX [EMA EPAR]
Common Name English
FE-200486 (FREE BASE)
Code English
DEGARELIX [MI]
Common Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS FIRMAGON (AUTHORIZED: PROSTATIC NEOPLASMS)
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
WHO-ATC L02BX02
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
NCI_THESAURUS C2092
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
LIVERTOX NBK548578
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
WHO-VATC QL02BX02
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
Code System Code Type Description
CAS
214766-78-6
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
SMS_ID
100000091843
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
IUPHAR
5585
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
WIKIPEDIA
DEGARELIX
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
RXCUI
475230
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY RxNorm
DRUG BANK
DB06699
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
NCI_THESAURUS
C48385
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
EPA CompTox
DTXSID801026401
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
DAILYMED
SX0XJI3A11
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
HSDB
7817
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
USAN
TT-85
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
ChEMBL
CHEMBL415606
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
INN
8192
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
MERCK INDEX
m4136
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY Merck Index
FDA UNII
SX0XJI3A11
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
EVMPD
SUB27748
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
DRUG CENTRAL
4379
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
PUBCHEM
16136245
Created by admin on Fri Dec 15 15:31:47 UTC 2023 , Edited by admin on Fri Dec 15 15:31:47 UTC 2023
PRIMARY
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TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
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METABOLITE -> PARENT
MAJOR
FECAL
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ACTIVE MOIETY