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Substance Name: Prazarelix acetate [USAN]
RN: 134485-10-2
InChIKey: UYXOLEHMGDKCEI-OKBORMFFSA-N

Classification Codes

  • Gonadotropin-Releasing Hormone Antagonist
  • Treatment of Uterine Fibroids, Endometriosis, and Prostate Cancer (Gonadotropin-Releasing Hormone Antagonist)

Molecular Formula

  • C80-H102-Cl-N23-O12.x-C2-H4-O2

Molecular Weight

  • 1673.3394
 
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Names and Synonyms

Name of Substance

  • Prazarelix acetate [USAN]

Synonyms

  • N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-((5-amino-1H-1,2,4-triazol-3-yl)amino)-L-phenylalanyl-4-((5-amino-1H-1,2,4-triazol-3-yl)amino)-D-phenylalanyl-L-leucyl-N(sup 6)-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide acetate (salt)
  • 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-N(sup 6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide acetate (salt)
  • Prazarelix acetate
  • RWJ 47428

Systematic Name

  • N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-4-((5-amino-1H-1,2,4-triazol-3-yl)amino)-L-phenylalanyl-4-((5-amino-1H-1,2,4-triazol-3-yl)amino)-D-phenylalanyl-L-leucyl-(sup 6)N-(1-methylethyl)-L-lysyl-L-prolyl-D-alaninamide acetate (salt);

Registry Numbers

CAS Registry Number

  • 134485-10-2

System Generated Number

  • 0134485102

Molecular Formulas

Molecular Formula

  • C80-H102-Cl-N23-O12.x-C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C80-H102-Cl-N23-O12
  • COMPONENT

Structure Descriptors

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

InChIKey

UYXOLEHMGDKCEI-OKBORMFFSA-N

Smiles

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(cc2)Nc3nc([nH]n3)N)NC(=O)[C@H](Cc4ccc(cc4)Nc5nc([nH]n5)N)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc6cccnc6)NC(=O)[C@@H](Cc7ccc(cc7)Cl)NC(=O)[C@@H](Cc8ccc9ccccc9c8)NC(=O)C.CC(=O)O