PRAZARELIX

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C80H102ClN23O12
Molecular Weight	1613.266
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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=VLGKQBGBPIVGBX-ZVSGBDDQSA-N

InChI=1S/C80H102ClN23O12/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/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)/t46-,58+,59+,60-,61-,62-,63+,64-,65+,66+/m1/s1

HIDE SMILES / InChI

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

Description
Sources: Aronson, J.K. (2014) Meyler's Side Effects of Drugs 15E, retrieved from: https://books.google.ru/books?id=tqsXzG1W8HgC | Maamir, S., Haghi, A.K. (2015) Mechanical and Physico-Chemical Characteristics of Modified Materials, page 299, retrieved from: https://books.google.ru/books?id=EN-YCgAAQBAJ

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

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:10:44 GMT 2023` Edited by `admin` on `Fri Dec 15 17:10:44 GMT 2023`
Record UNII	68HX54O1VL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PRAZARELIX

Official Name

English

prazarelix [INN]

Common Name

English

N-ACETYL-3-(2-NAPHTHYL)-D-ALANYL-P-CHLORO-D-PHENYLALANYL-3-(3-PYRIDYL)-D-ALANYL-L-SERYL-P-((5-AMINO-S-TRIAZOL-3-YL)AMINO)-L-PHENYLALANYL-P-((5-AMINO-S-TRIAZOL-3-YL)AMINO)-D-PHENYLALANYL-L-LEUCYL-N6-ISOPROPYL-L-LYSYL-L-PROLYL-D-ALANINAMIDE

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2092