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Substance Name: S 9977
RN: 138472-18-1
InChIKey: GVHZRDKDUVIRNY-UHFFFAOYSA-N

Note

  • May alleviate migranes.

Molecular Formula

  • C20-H33-N7-O3.Cl-H

Molecular Weight

  • 455.988
 
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Names and Synonyms

Name of Substance

  • S 9977

Synonyms

  • 1,3,7-Trimethyl-8-(3-(4-diethylaminocarbonyl-1-piperazinyl)propyl)-3,7-dihydro-(1H)2,6-purinedione
  • N,N-Diethyl-4-(3-(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)propyl)-1-piperazinecarboxamide monohydrochloride
  • S 9977-2
  • S-9977
  • S-9977-2
  • S9977

Systematic Name

  • 1-Piperazinecarboxamide, N,N-diethyl-4-(3-(2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo-1H-purin-8-yl)propyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 138472-18-1

Related Registry Number

  • 98833-92-2 (Parent)

System Generated Number

  • 0138472181

Molecular Formulas

Molecular Formula

  • C20-H33-N7-O3.Cl-H

Molecular Formula Fragments

  • C20-H33-N7-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C20H33N7O3.ClH/c1-6-26(7-2)20(30)27-13-11-25(12-14-27)10-8-9-15-21-17-16(22(15)3)18(28)24(5)19(29)23(17)4;/h6-14H2,1-5H3;1H

InChIKey

GVHZRDKDUVIRNY-UHFFFAOYSA-N

Smiles

N1(CCN(CC1)CCCc1n(c2c(n(c(n(c2n1)C)=O)C)=O)C)C(=O)N(CC)CC.Cl