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Substance Name: Ganirelix [INN:BAN]
RN: 124904-93-4
UNII: IX503L9WN0
InChIKey: GJNXBNATEDXMAK-PFLSVRRQSA-N

Classification Codes

  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists

Molecular Formula

  • C80-H113-Cl-N18-O13

Molecular Weight

  • 1570.3387
 
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Names and Synonyms

Name of Substance

  • Ganirelix
  • Ganirelix [INN:BAN]

Synonyms

  • Ganirelix
  • Ganirelixum
  • Ganirelixum [INN-Latin]
  • Orgalutran
  • UNII-IX503L9WN0

Systematic Name

  • D-Alaninamide, N-acetyl-3-(1-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N6-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-N6-(bis(ethylamino)methylene)-L-lysyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 124904-93-4

FDA UNII

  • IX503L9WN0

Other Registry Number

  • 123246-29-7

System Generated Number

  • 0124904934

Structure Descriptors

InChI

1S/C80H113ClN18O13/c1-9-84-79(85-10-2)88-38-17-15-24-60(70(104)94-62(41-49(5)6)71(105)93-61(25-16-18-39-89-80(86-11-3)87-12-4)78(112)99-40-20-26-68(99)77(111)90-50(7)69(82)103)92-73(107)64(44-53-30-35-59(102)36-31-53)97-76(110)67(48-100)98-75(109)66(46-55-21-19-37-83-47-55)96-74(108)65(43-52-28-33-58(81)34-29-52)95-72(106)63(91-51(8)101)45-54-27-32-56-22-13-14-23-57(56)42-54/h13-14,19,21-23,27-37,42,47,49-50,60-68,100,102H,9-12,15-18,20,24-26,38-41,43-46,48H2,1-8H3,(H2,82,103)(H,90,111)(H,91,101)(H,92,107)(H,93,105)(H,94,104)(H,95,106)(H,96,108)(H,97,110)(H,98,109)(H2,84,85,88)(H2,86,87,89)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+/m1/s1

InChIKey

GJNXBNATEDXMAK-PFLSVRRQSA-N

Smiles

CCNC(=NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2cccnc2)NC(=O)[C@@H](Cc3ccc(Cl)cc3)NC(=O)[C@@H](Cc4ccc5ccccc5c4)NC(=O)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN=C(NCC)NCC)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(=O)N)NCC