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Substance Name: Spasdolsine
RN: 8067-15-0
InChIKey: WUZAVNYVJZTHFS-UHFFFAOYSA-L

Molecular Formula

  • C29-H43-N5-O3.C18-H23-N2-S.C13-H17-N3-O4-S.2C6-H8-O7.C-H3-O4-S.Na

Molecular Weight

  • 1637.83
 
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Names and Synonyms

Results Name

  • Spasdolsine

Synonyms

  • Spasdolsin
  • Spasdolsin [German]
  • Spasdolsine

Systematic Name

  • 10H-Phenothiazine-10-ethanaminium, N,N,N,alpha-tetramethyl-, methyl sulfate mixt. with5-phenyl-5-(1-piperidinyl)-1,3-bis(2-(1-piperidinyl)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione2-hydroxy-1,2,3-propanetricarboxylate (1:2) and sodium ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino)methanesulfonate

Registry Numbers

CAS Registry Number

  • 8067-15-0

System Generated Number

  • 0008067150

Molecular Formulas

Molecular Formula

  • C29-H43-N5-O3.C18-H23-N2-S.C13-H17-N3-O4-S.2C6-H8-O7.C-H3-O4-S.Na

Molecular Formula Fragments

  • C-H3-O4-S
  • C13-H17-N3-O4-S
  • C18-H23-N2-S
  • C29-H43-N5-O3
  • C6-H8-O7
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C29H43N5O3.C18H23N2S.C13H17N3O4S.2C6H8O7.CH4O4S.Na/c35-26-29(25-13-5-1-6-14-25,32-19-11-4-12-20-32)27(36)34(24-22-31-17-9-3-10-18-31)28(37)33(26)23-21-30-15-7-2-8-16-30;1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;2*7-3(8)1-6(13,5(11)12)2-4(9)10;1-5-6(2,3)4;/h1,5-6,13-14H,2-4,7-12,15-24H2;5-12,14H,13H2,1-4H3;4-8H,9H2,1-3H3,(H,18,19,20);2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3,(H,2,3,4);/q;+1;;;;;+1/p-2

InChIKey

WUZAVNYVJZTHFS-UHFFFAOYSA-L

Smiles

[Na+].C(N(c1c(n(c2ccccc2)n(c1C)C)=O)C)S(=O)(=O)[O-].C1(N(CCN2CCCCC2)C(C(N2CCCCC2)(c2ccccc2)C(N1CCN1CCCCC1)=O)=O)=O.C(C(CC(=O)O)(C(=O)O)O)C(O)=O.c1cccc2Sc3ccccc3N(c12)C[C@@H]([N+](C)(C)C)C.S(=O)(=O)(OC)[O-].C(C(CC(=O)O)(C(=O)O)O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 4200uL/kg (4.2mL/kg)   Pharmazie. Vol. 18(Suppl), Pg. 220, 1963.