Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Abarelix [USAN:INN]
RN: 183552-38-7
UNII: W486SJ5824
InChIKey: AIWRTTMUVOZGPW-HSPKUQOVSA-N

Classification Codes

  • Antagonist (LHRH)
  • Gonad-Stimulating Principle
  • Hormone Antagonists
  • Hormones, Hormone Substitutes, and Hormone Antagonists

Molecular Formula

  • C72-H95-Cl-N14-O14

Molecular Weight

  • 1416.08
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Abarelix
  • Abarelix [USAN:INN]

Synonyms

  • Abarelix
  • N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N(sup 6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide
  • N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparginyl-L-leucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamide
  • Plenaxis
  • Plenaxis depot
  • PPI 149
  • PPI-149
  • R 3827
  • R3827
  • UNII-W486SJ5824

Systematic Name

  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl- 10

Registry Numbers

CAS Registry Number

  • 183552-38-7

FDA UNII

  • W486SJ5824

System Generated Number

  • 0183552387

Structure Descriptors

InChI

1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1

InChIKey

AIWRTTMUVOZGPW-HSPKUQOVSA-N

Smiles

N([C@@H](C(N)=O)C)C(=O)[C@H]1N(C([C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(N)=O)NC([C@@H](N(C([C@@H](NC([C@H](NC([C@H](NC([C@@H](Cc2ccc3ccccc3c2)NC(C)=O)=O)Cc2ccc(cc2)Cl)=O)Cc2cccnc2)=O)CO)=O)C)Cc2ccc(O)cc2)=O)=O)CCC1