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Substance Name: Monocetrorelix pamoate
RN: 132741-85-6
UNII: 2BT5NKS83L
InChIKey: RJXJRVPFMNFHLV-ANRVCLKPSA-N

Molecular Formula

  • C70-H92-Cl-N17-O14.C23-H16-O6

Molecular Weight

  • 1819.4282
 
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Names and Synonyms

Name of Substance

  • Monocetrorelix pamoate

Synonyms

  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-, 4,4'-methylenebis(3-hydroxy-2-naphthalenecarboxylate) (1:1)
  • Monocetrorelix embonate
  • Monocetrorelix pamoate
  • UNII-2BT5NKS83L

Registry Numbers

CAS Registry Number

  • 132741-85-6

FDA UNII

  • 2BT5NKS83L

System Generated Number

  • 0132741856

Structure Descriptors

InChI

1S/C70H92ClN17O14.C23H16O6/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)68(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)57(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-23-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-47(46)32-44;24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,82,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H3,75,78,102);1-10,24-25H,11H2,(H,26,27)(H,28,29)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+;/m1./s1

InChIKey

RJXJRVPFMNFHLV-ANRVCLKPSA-N

Smiles

CC(C)C[C@H](NC(=O)[C@@H](CCCNC(=O)N)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](CCCNC(=N)N)C(=O)N6CCC[C@H]6C(=O)N[C@H](C)C(=O)N.OC(=O)c7cc8ccccc8c(Cc9c(O)c(cc%10ccccc9%10)C(=O)O)c7O