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Substance Name: Histrelin acetate
RN: 220810-26-4
UNII: QMG7HLD1ZE
InChIKey: BKEMVGVBBDMHKL-VYFXDUNUSA-N

Note

  • Gonadotropin releasing hormone agonist.

Classification Code

  • Antineoplastic

Molecular Formula

  • C66-H86-N18-O12.x-C2-H4-O2

Molecular Weight

  • 1443.6226
 
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Names and Synonyms

Name of Substance

  • Histrelin acetate

Synonyms

  • Histrelin acetate
  • Supprelin
  • Supprelin LA
  • UNII-QMG7HLD1ZE
  • Vantas

Registry Numbers

CAS Registry Number

  • 220810-26-4

FDA UNII

  • QMG7HLD1ZE

System Generated Number

  • 0220810264

Molecular Formulas

Molecular Formula

  • C66-H86-N18-O12.x-C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C66-H86-N18-O12
  • COMPONENT

Structure Descriptors

InChI

1S/C66H86N18O12.2C2H4O2/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47;2*1-2(3)4/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71);2*1H3,(H,3,4)/t47-,48-,49-,50-,51-,52-,53+,54-,55-;;/m0../s1

InChIKey

BKEMVGVBBDMHKL-VYFXDUNUSA-N

Smiles

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CO)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](Cc7c[nH]cn7)NC(=O)[C@@H]8CCC(=O)N8.CC(=O)O.CC(=O)O