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Substance Name: LHRH,(N)-Ac-(4-Cl-Phe)(1)-(4-Cl-phe)(2)-trp(3)-phe(6)-alanh2(10)-
RN: 78493-58-0
InChIKey: NNTOZZRGJOVEQQ-KPVNRCNWSA-N

Note

  • Gonadorelin antagonist.

Classification Codes

  • Hormone
  • Reproductive Effect

Molecular Formula

  • C72-H89-Cl2-N15-O13

Molecular Weight

  • 1443.49
 
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Names and Synonyms

Name of Substance

  • LHRH,(N)-Ac-(4-Cl-Phe)(1)-(4-Cl-phe)(2)-trp(3)-phe(6)-alanh2(10)-

Synonyms

  • Des-Gly(sup 10)-GNRH D-alanylamide
  • Gonadotropin-releasing hormone, des-gly(sup 10)-, D-alaninamide
  • ORG 30093

Systematic Name

  • D-Alaninamide, N-acetyl-4-chloro-D-phenylalanyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-D-phenylalanyl-L-leucyl-L-arginyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 78493-58-0

System Generated Number

  • 0078493580

Structure Descriptors

InChI

1S/C72H89Cl2N15O13/c1-40(2)32-54(63(94)82-53(16-10-30-78-72(76)77)71(102)89-31-11-17-61(89)70(101)80-41(3)62(75)93)83-65(96)56(33-43-12-6-5-7-13-43)85-66(97)58(36-46-22-28-50(92)29-23-46)86-69(100)60(39-90)88-68(99)59(37-47-38-79-52-15-9-8-14-51(47)52)87-67(98)57(35-45-20-26-49(74)27-21-45)84-64(95)55(81-42(4)91)34-44-18-24-48(73)25-19-44/h5-9,12-15,18-29,38,40-41,53-61,79,90,92H,10-11,16-17,30-37,39H2,1-4H3,(H2,75,93)(H,80,101)(H,81,91)(H,82,94)(H,83,96)(H,84,95)(H,85,97)(H,86,100)(H,87,98)(H,88,99)(H4,76,77,78)/t41-,53+,54+,55-,56-,57-,58+,59-,60+,61+/m1/s1

InChIKey

NNTOZZRGJOVEQQ-KPVNRCNWSA-N

Smiles

c1(ccc(cc1)Cl)C[C@@H](NC([C@@H](Cc1ccc(cc1)Cl)NC(C)=O)=O)C(N[C@H](Cc1c[nH]c2c1cccc2)C(N[C@H](C(N[C@H](C(N[C@@H](C(=O)N[C@H](C(N[C@H](C(N1CCC[C@H]1C(=O)N[C@@H](C(N)=O)C)=O)CCCNC(N)=N)=O)CC(C)C)Cc1ccccc1)=O)Cc1ccc(O)cc1)=O)CO)=O)=O