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Substance Name: Org 30850
RN: 136208-71-4
InChIKey: ONHXPWXXSUUCDR-SLMFISIISA-N

Note

  • Gonadorelin antagonist.

Molecular Formula

  • C69-H91-Cl2-N15-O13-S

Molecular Weight

  • 1441.54
 
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Names and Synonyms

Name of Substance

  • Org 30850

Synonyms

  • 1-N-Ac-(4-Cl-Phe)-2-(4-Cl-phe)-3-(3-benzo(b)thi-ala)-6-lys-10-alanh2-LHRH
  • GNRH, N-Ac-4-Cl-phe(1)-(4-Cl-phe)(2)-(3-benzo(b)thi-ala)(3)-lys(6)-alanh2(10)-
  • LHRH, (N-Acetyl-4-chlorophenylalanyl)(1)-(4-chlorophenylalanyl)(2)-(3-benzo(b)thien-3-ylalanyl)(3)-lysyl(6)-alaninamide(10)-
  • LHRH, N-Ac-(4-Cl-Phe)(1)-(4-clphe)(2)-(3-benzo(b)thi-ala)(3)-lys(6)-alanh2(10)-
  • Org 30850 ant
  • Org-30850

Systematic Name

  • D-Alaninamide, N-acetyl-4-chloro-D-phenylalanyl-4-chloro-D-phenylalanyl-3-benzo(b)thien-3-yl-D-alanyl-L-seryl-L-tyrosyl-D-lysyl-L-leucyl-L-arginyl-L-prolyl-

Registry Numbers

CAS Registry Number

  • 136208-71-4

System Generated Number

  • 0136208714

Structure Descriptors

InChI

1S/C69H91Cl2N15O13S/c1-38(2)31-51(61(92)80-50(13-9-29-76-69(74)75)68(99)86-30-10-14-57(86)67(98)77-39(3)59(73)90)81-60(91)49(12-7-8-28-72)79-63(94)53(34-43-20-26-47(89)27-21-43)83-66(97)56(36-87)85-65(96)55(35-44-37-100-58-15-6-5-11-48(44)58)84-64(95)54(33-42-18-24-46(71)25-19-42)82-62(93)52(78-40(4)88)32-41-16-22-45(70)23-17-41/h5-6,11,15-27,37-39,49-57,87,89H,7-10,12-14,28-36,72H2,1-4H3,(H2,73,90)(H,77,98)(H,78,88)(H,79,94)(H,80,92)(H,81,91)(H,82,93)(H,83,97)(H,84,95)(H,85,96)(H4,74,75,76)/t39-,49-,50+,51+,52-,53+,54-,55-,56+,57+/m1/s1

InChIKey

ONHXPWXXSUUCDR-SLMFISIISA-N

Smiles

c1cccc2c(csc12)C[C@@H](NC(=O)[C@@H](Cc1ccc(cc1)Cl)NC(=O)[C@H](NC(C)=O)Cc1ccc(cc1)Cl)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N[C@@H](C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N1CCC[C@H]1C(N[C@@H](C(N)=O)C)=O)=O)=O)CC(C)C)=O)CCCCN)=O)Cc1ccc(cc1)O