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Substance Name: Ergonovine maleate mixture with oxytocin
RN: 37209-62-4
InChIKey: CEDGTLOSFDBJKR-KVXRPJDVSA-N

Classification Codes

  • Oxytocics
  • Reproductive Control Agents

Molecular Formula

  • C43-H66-N12-O12-S2.C19-H23-N3-O2.C4-H4-O4

Molecular Weight

  • 1448.6797
 
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Names and Synonyms

Results Name

  • Ergonovine maleate mixture with oxytocin

Name of Substance

  • Ergonovine maleate mixture with oxytocin
  • Syntometrine

Synonyms

  • Ergonovine maleate mixture with oxytocin
  • Oxymetrin
  • Syntometrine

Systematic Names

  • Ergoline-8-carboxamide, 9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-, (8beta(S))-, (Z)-2-butenedioate (1:1) (salt), mixt. with oxytocin
  • Oxytocin, mixt. with (8beta)-9,10-didehydro-N-(1S)-2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide (2Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 37209-62-4

System Generated Number

  • 0037209624

Molecular Formulas

Molecular Formula

  • C43-H66-N12-O12-S2.C19-H23-N3-O2.C4-H4-O4

Molecular Formula Fragments

  • C19-H23-N3-O2
  • C4-H4-O4
  • C43-H66-N12-O12-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C43H66N12O12S2.C19H23N3O2.C4H4O4/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59;1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64);3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;;2-1-/t22-,25-,26-,27-,28-,29-,30-,31-,35?;11-,13+,17+;/m00./s1

InChIKey

CEDGTLOSFDBJKR-KVXRPJDVSA-N

Smiles

CC[C@H](C)C1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)Cc2ccc(cc2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N.C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C.C(=C\C(=O)O)\C(=O)O