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Details

Stereochemistry ABSOLUTE
Molecular Formula C80H102ClN23O12.C2H4O2
Molecular Weight 1673.318
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PRAZARELIX ACETATE

SMILES

CC(O)=O.CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC2=NN=C(N)N2)C=C1)NC(=O)[C@H](CC3=CC=C(NC4=NN=C(N)N4)C=C3)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CC=CN=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](CCCCNC(C)C)C(=O)N9CCC[C@H]9C(=O)N[C@H](C)C(N)=O

InChI

InChIKey=UYXOLEHMGDKCEI-OKBORMFFSA-N
InChI=1S/C80H102ClN23O12.C2H4O2/c1-44(2)35-59(68(108)91-58(16-9-10-33-86-45(3)4)76(116)104-34-12-17-66(104)75(115)87-46(5)67(82)107)92-70(110)62(38-49-21-28-56(29-22-49)89-79-98-77(83)100-102-79)94-72(112)63(39-50-23-30-57(31-24-50)90-80-99-78(84)101-103-80)96-74(114)65(43-105)97-73(113)64(41-52-13-11-32-85-42-52)95-71(111)61(37-48-19-26-55(81)27-20-48)93-69(109)60(88-47(6)106)40-51-18-25-53-14-7-8-15-54(53)36-51;1-2(3)4/h7-8,11,13-15,18-32,36,42,44-46,58-66,86,105H,9-10,12,16-17,33-35,37-41,43H2,1-6H3,(H2,82,107)(H,87,115)(H,88,106)(H,91,108)(H,92,110)(H,93,109)(H,94,112)(H,95,111)(H,96,114)(H,97,113)(H4,83,89,98,100,102)(H4,84,90,99,101,103);1H3,(H,3,4)/t46-,58+,59+,60-,61-,62-,63+,64-,65+,66+;/m1./s1

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C80H102ClN23O12
Molecular Weight 1613.266
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 6
Optical Activity UNSPECIFIED

Prazarelix is gonadorelin (GnRH) antagonist. It is primarily used in assisted reproduction to control ovulation. The drug works by blocking the action of GnRH upon the pituitary, thus rapidly suppressing the production and action of luteinizing hormone (LH) and follicle-stimulating hormone (FSH).

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:37:57 GMT 2023
Edited
by admin
on Fri Dec 15 15:37:57 GMT 2023
Record UNII
3N0Y1LR8V4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PRAZARELIX ACETATE
USAN  
USAN  
Official Name English
AZALINE B
Common Name English
RWJ-47428
Code English
RWJ47428
Code English
PRAZARELIX ACETATE [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C2092
Created by admin on Fri Dec 15 15:37:57 GMT 2023 , Edited by admin on Fri Dec 15 15:37:57 GMT 2023
Code System Code Type Description
PUBCHEM
70697644
Created by admin on Fri Dec 15 15:37:57 GMT 2023 , Edited by admin on Fri Dec 15 15:37:57 GMT 2023
PRIMARY
FDA UNII
3N0Y1LR8V4
Created by admin on Fri Dec 15 15:37:57 GMT 2023 , Edited by admin on Fri Dec 15 15:37:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID20172192
Created by admin on Fri Dec 15 15:37:57 GMT 2023 , Edited by admin on Fri Dec 15 15:37:57 GMT 2023
PRIMARY
CAS
225931-76-0
Created by admin on Fri Dec 15 15:37:57 GMT 2023 , Edited by admin on Fri Dec 15 15:37:57 GMT 2023
ALTERNATIVE
CAS
188405-78-9
Created by admin on Fri Dec 15 15:37:57 GMT 2023 , Edited by admin on Fri Dec 15 15:37:57 GMT 2023
PRIMARY
CAS
134485-10-2
Created by admin on Fri Dec 15 15:37:57 GMT 2023 , Edited by admin on Fri Dec 15 15:37:57 GMT 2023
NON-SPECIFIC STOICHIOMETRY
ChEMBL
CHEMBL409018
Created by admin on Fri Dec 15 15:37:57 GMT 2023 , Edited by admin on Fri Dec 15 15:37:57 GMT 2023
PRIMARY
NCI_THESAURUS
C97709
Created by admin on Fri Dec 15 15:37:57 GMT 2023 , Edited by admin on Fri Dec 15 15:37:57 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY