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Substance Name: Ganirelix acetate [USAN]
RN: 129311-55-3
UNII: 56U7906FQW
InChIKey: OVBICQMTCPFEBS-SATRDZAXSA-N

Classification Code

  • Gonad-Stimulating Principle

Molecular Formula

  • C80-H113-Cl-N18-O13.2C2-H4-O2

Molecular Weight

  • 1690.4419
 
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Names and Synonyms

Name of Substance

  • Ganirelix acetate
  • Ganirelix acetate [USAN]

Synonyms

  • Antagon
  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 6)-((ethylamino)(ethylimino)methyl)-D-lysyl-L-leucyl-N(sup 6)-((ethylamino)(ethylimino)methyl)-L-lysyl-L-prolyl-, diacetate (salt)
  • Ganirelix acetate
  • Ganirelix acetate injection
  • N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N(sup 6)-(N,N'-diethylamidino)-D-lysyl-L-leucyl-N(sup 6)-(N,N'-diethylamidino)-L-lysyl-L-prolyl-D-alaninamide diacetate (salt)
  • RS-26306
  • UNII-56U7906FQW

Registry Numbers

CAS Registry Number

  • 129311-55-3

FDA UNII

  • 56U7906FQW

System Generated Number

  • 0129311553

Molecular Formulas

Molecular Formula

  • C80-H113-Cl-N18-O13.2C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C80-H113-Cl-N18-O13
  • COMPONENT

Structure Descriptors

InChI

1S/C80H113ClN18O13.2C2H4O2/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;2*1-2(3)4/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);2*1H3,(H,3,4)/t50-,60-,61+,62+,63-,64+,65-,66-,67+,68+;;/m1../s1

InChIKey

OVBICQMTCPFEBS-SATRDZAXSA-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.CC(=O)O.CC(=O)O