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Substance Name: Fertirelin acetate [USAN]
RN: 66002-66-2
UNII: JD54DU77I8
InChIKey: ZVTCYOIDKTXKGH-UYRFKBGYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C55-H76-N16-O12.C2-H4-O2

Molecular Weight

  • 1213.357
 
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Names and Synonyms

Name of Substance

  • Fertirelin acetate [USAN]

Synonyms

  • Conceral
  • Des-Gly(sup 10)-GNRH-ethylamide
  • Fertirelin acetate
  • Fertirelin monoacetate
  • Ovalyse
  • U 69689E
  • UNII-JD54DU77I8

Systematic Name

  • Luteinizing hormone releasing factor (pig), 9-(N-ethyl-L-prolinamide)-10-deglycinamide-, monoacetate (salt)

Registry Numbers

CAS Registry Number

  • 66002-66-2

FDA UNII

  • JD54DU77I8

Other Registry Number

  • 106756-71-2

Related Registry Number

  • 38234-21-8 (Parent)

System Generated Number

  • 0066002662

Molecular Formulas

Molecular Formula

  • C55-H76-N16-O12.C2-H4-O2

Molecular Formula Fragments

  • C2-H4-O2
  • C55-H76-N16-O12
  • COMPONENT

Structure Descriptors

InChI

1S/C55H76N16O12.C2H4O2/c1-4-59-53(82)44-12-8-20-71(44)54(83)38(11-7-19-60-55(56)57)66-49(78)39(21-30(2)3)65-46(75)27-62-47(76)40(22-31-13-15-34(73)16-14-31)67-52(81)43(28-72)70-50(79)41(23-32-25-61-36-10-6-5-9-35(32)36)68-51(80)42(24-33-26-58-29-63-33)69-48(77)37-17-18-45(74)64-37;1-2(3)4/h5-6,9-10,13-16,25-26,29-30,37-44,61,72-73H,4,7-8,11-12,17-24,27-28H2,1-3H3,(H,58,63)(H,59,82)(H,62,76)(H,64,74)(H,65,75)(H,66,78)(H,67,81)(H,68,80)(H,69,77)(H,70,79)(H4,56,57,60);1H3,(H,3,4)/t37-,38-,39-,40-,41-,42-,43-,44-;/m0./s1

InChIKey

ZVTCYOIDKTXKGH-UYRFKBGYSA-N

Smiles

CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3c[nH]c4c3cccc4)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)[C@@H]6CCC(=O)N6.CC(=O)O