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Substance Name: Ramorelix [INN]
RN: 127932-90-5
UNII: 7981LI6QXL
InChIKey: WDYSQADGBBEGRQ-APSDYLPASA-N

Note

  • LHRH antagonist.

Molecular Formula

  • C74-H95-Cl-N16-O18

Molecular Weight

  • 1532.1115
 
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Names and Synonyms

Name of Substance

  • LHRH, ac-2-Nal(1)-4-Cl-phe(2)-trp(3)-ser(rha)(6)-azglynh2(10)-
  • Ramorelix [INN]

Synonyms

  • 1-(N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-O-(6-deoxy-alpha-L-mannopyranosyl)-D-seryl-L-leucyl-L-arginyl-L-prolyl)semicarbazide
  • HOE 013
  • Ramorelix
  • UNII-7981LI6QXL

Systematic Name

  • 1-(N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-O-(6-deoxy-alpha-L-mannopyranosyl)-D-seryl-L-leucyl-L-arginyl-L-prolyl)semicarbazide

Registry Numbers

CAS Registry Number

  • 127932-90-5

FDA UNII

  • 7981LI6QXL

Other Registry Number

  • 136639-71-9

System Generated Number

  • 0127932905

Structure Descriptors

InChI

1S/C74H95ClN16O18/c1-38(2)29-52(63(98)82-51(15-9-27-79-73(76)77)71(106)91-28-10-16-59(91)70(105)89-90-74(78)107)83-69(104)58(37-108-72-62(97)61(96)60(95)39(3)109-72)88-66(101)55(32-42-20-25-48(94)26-21-42)85-68(103)57(36-92)87-67(102)56(34-46-35-80-50-14-8-7-13-49(46)50)86-65(100)54(31-41-18-23-47(75)24-19-41)84-64(99)53(81-40(4)93)33-43-17-22-44-11-5-6-12-45(44)30-43/h5-8,11-14,17-26,30,35,38-39,51-62,72,80,92,94-97H,9-10,15-16,27-29,31-34,36-37H2,1-4H3,(H,81,93)(H,82,98)(H,83,104)(H,84,99)(H,85,103)(H,86,100)(H,87,102)(H,88,101)(H,89,105)(H4,76,77,79)(H3,78,90,107)/t39-,51-,52-,53+,54+,55-,56+,57-,58+,59-,60-,61+,62+,72+/m0/s1

InChIKey

WDYSQADGBBEGRQ-APSDYLPASA-N

Smiles

CC(C)C[C@H](NC(=O)[C@@H](CO[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](Cc5ccc(Cl)cc5)NC(=O)[C@@H](Cc6ccc7ccccc7c6)NC(=O)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N8CCC[C@H]8C(=O)NNC(=O)N