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Substance Name: Iturelix [USAN:INN]
RN: 112568-12-4
UNII: 94055UOQ3Y
InChIKey: QRYFGTULTGLGHU-NBERXCRTSA-N

Note

  • A gonadotropin-releasing hormone antagonist.

Molecular Formula

  • C82-H108-Cl-N17-O14

Molecular Weight

  • 1591.31
 

Classification Codes

  • Drug / Therapeutic Agent
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists
  • Reproductive Effect
  • Reversible Inhibition of Gonadotropin Secretion and Subsequent Suppression of Ovarian and Testicular Steroid Secretion (Gonadotropin Releasing Hormone Antagonist)
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Names and Synonyms

Name of Substance

  • Iturelix
  • Iturelix [USAN:INN]

Synonyms

  • (N-Acetyl-3-(naphhalen-2-yl)-D-alanyl)-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N(sup 6)-nicotinyl-L-lysyl-N(sup 6)-nicotinyl-D-lysyl-L-leucyl-N(sup 6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide
  • Antide
  • BRN 4866881
  • Iturelix
  • N-Ac-Nal(1)-4-Cl-Phe(2)-Pal(3)-Ser(4)-Nic-Lys(5)-Nic-Lys(6)-Leu(7)-I-Lys(8)-Pro(9)-Ala(10)-NH2
  • Nal-Lys-GnRHant
  • ORF 23541
  • ORF-32541
  • UNII-94055UOQ3Y

Systematic Names

  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N(sup 6)-(3-pyridinylcarbonyl)-L-lysyl-N(sup 6)-(3-pyridinylcarbonyl)-D-lysyl-L-leucyl-N(sup 6)-(1-methylethyl)-L-lysyl-L-prolyl-
  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N6-(3-pyridinylcarbonyl)-L-lysyl-N6-(3-pyridinylcarbonyl)-D-lysyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 112568-12-4

FDA UNII

  • 94055UOQ3Y

System Generated Number

  • 0112568124

Structure Descriptors

InChI

1S/C82H108ClN17O14/c1-50(2)41-65(76(108)95-64(26-11-12-37-88-51(3)4)82(114)100-40-18-27-70(100)81(113)91-52(5)71(84)103)96-75(107)63(25-10-14-39-90-73(105)60-23-17-36-87-48-60)93-74(106)62(24-9-13-38-89-72(104)59-22-16-35-86-47-59)94-80(112)69(49-101)99-79(111)68(45-56-19-15-34-85-46-56)98-78(110)67(43-54-29-32-61(83)33-30-54)97-77(109)66(92-53(6)102)44-55-28-31-57-20-7-8-21-58(57)42-55/h7-8,15-17,19-23,28-36,42,46-48,50-52,62-70,88,101H,9-14,18,24-27,37-41,43-45,49H2,1-6H3,(H2,84,103)(H,89,104)(H,90,105)(H,91,113)(H,92,102)(H,93,106)(H,94,112)(H,95,108)(H,96,107)(H,97,109)(H,98,110)(H,99,111)/t52-,62+,63-,64+,65+,66-,67-,68-,69+,70+/m1/s1

InChIKey

QRYFGTULTGLGHU-NBERXCRTSA-N

Smiles

c1ccc2ccc(cc2c1)C[C@H](C(N[C@H](Cc1ccc(cc1)Cl)C(N[C@@H](C(N[C@H](C(N[C@@H](CCCCNC(c1cccnc1)=O)C(=O)N[C@@H](C(=O)N[C@H](C(N[C@H](C(N1[C@@H](CCC1)C(N[C@@H](C(N)=O)C)=O)=O)CCCCNC(C)C)=O)CC(C)C)CCCCNC(=O)c1cccnc1)=O)CO)=O)Cc1cnccc1)=O)=O)NC(C)=O