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Substance Name: Gonadorelin acetate [USAN:USP]
RN: 52699-48-6
UNII: 2RG1XQ1NYJ
InChIKey: OOBWZCWPKJOGPF-UHFFFAOYSA-N

Classification Code

  • Gonad-Stimulating Principle

Molecular Formula

  • C55-H75-N17-O13.x-C2-H4-O2.x-H2-O

Molecular Weight

  • 1260.3699
 
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Names and Synonyms

Name of Substance

  • Gonadorelin acetate [USAN:USP]

Synonyms

  • 5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosylglycyl-L-leucyl-L-arginyl-L-prolylglycinamide acetate (salt) hydrate
  • Abbott-41070
  • Gonadorelin acetate
  • Gonadorelin diacetate
  • Luteinizing hormone-releasing factor (pig), 5-L-phenylalanine-, acetate (salt), hydrate
  • Luteinizing hormone-releasing factor acetate (salt) hydrate
  • UNII-2RG1XQ1NYJ

Systematic Name

  • Luteinizing hormone-releasing factor (swine), 5-L-phenylalanine-, acetate (salt) hydrate

Registry Numbers

CAS Registry Number

  • 52699-48-6

FDA UNII

  • 2RG1XQ1NYJ

Related Registry Number

  • 33515-09-2 (Parent)

System Generated Number

  • 0052699486

Molecular Formulas

Molecular Formula

  • C55-H75-N17-O13.x-C2-H4-O2.x-H2-O

Molecular Formula Fragments

  • C2-H4-O2
  • C55-H75-N17-O13
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C55H75N17O13.C2H4O2.H2O/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36;1-2(3)4;/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60);1H3,(H,3,4);1H2

InChIKey

OOBWZCWPKJOGPF-UHFFFAOYSA-N

Smiles

CC(C)CC(C(=O)NC(CCCNC(=N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(Cc2ccc(cc2)O)NC(=O)C(CO)NC(=O)C(Cc3c[nH]c4c3cccc4)NC(=O)C(Cc5c[nH]cn5)NC(=O)C6CCC(=O)N6.CC(=O)O.O