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Substance Name: 1,3,8-Triazaspiro(4,5)decan-4-one, 3-allyl-1-phenyl-8-(3-(2-thenoyl)propyl)-, hydrochloride, hemihydrate
RN: 102395-41-5
InChIKey: HKWULLJWCUBNML-UHFFFAOYSA-N

Molecular Formula

  • C24-H29-N3-O2-S.Cl-H.1/2H2-O

Molecular Weight

  • 938.0928
 
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Names and Synonyms

  • 1,3,8-Triazaspiro(4,5)decan-4-one, 3-allyl-1-phenyl-8-(3-(2-thenoyl)propyl)-, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 102395-41-5

System Generated Number

  • 0102395415

Molecular Formulas

Molecular Formula

  • C24-H29-N3-O2-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C24-H29-N3-O2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C24H29N3O2S.2ClH.H2O/c2*1-2-14-26-19-27(20-8-4-3-5-9-20)24(23(26)29)12-16-25(17-13-24)15-6-10-21(28)22-11-7-18-30-22;;;/h2*2-5,7-9,11,18H,1,6,10,12-17,19H2;2*1H;1H2

InChIKey

HKWULLJWCUBNML-UHFFFAOYSA-N

Smiles

C=CCN1CN(C2(C1=O)CCN(CC2)CCCC(=O)c3cccs3)c4ccccc4.C=CCN1CN(C2(C1=O)CCN(CC2)CCCC(=O)c3cccs3)c4ccccc4.O.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 11mg/kg (11mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11917,