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Substance Name: 2-(1-Hydroxyethyl)-4-(3-(dimethylamino)propyl)-3,4- dihydro-3-phenyl-2H-1,4-benzothiazine
RN: 42585-60-4
InChIKey: DDOLUXRCVKFFOE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H28-N2-O-S.Cl-H

Molecular Weight

  • 392.992
 
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Names and Synonyms

Name of Substance

  • 2-(1-Hydroxyethyl)-4-(3-(dimethylamino)propyl)-3,4- dihydro-3-phenyl-2H-1,4-benzothiazine

Synonyms

  • 2-(1-Hydroxyethyl)-4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine
  • 2-(1-Hydroxyethyl)-4-(3-(dimethylamino)propyl)-3,4-dihydro-3-phenyl-2H-1,4-benzothiazine HCl

Systematic Names

  • 2H-1,4-Benzothiazine-2-methanol, 3,4-dihydro-4-(3-(dimethylamino)propyl)-alpha-methyl-3-phenyl-, monohydrochloride, trans-
  • 4-(3-(Dimethylamino)propyl)-3,4-dihydro-alpha-methyl-3-phenyl-2H-1,4-benzothiazine-2-methanol

Registry Numbers

CAS Registry Number

  • 42585-60-4

System Generated Number

  • 0042585604

Molecular Formulas

Molecular Formula

  • C21-H28-N2-O-S.Cl-H

Molecular Formula Fragments

  • C21-H28-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H28N2OS.ClH/c1-16(24)21-20(17-10-5-4-6-11-17)23(15-9-14-22(2)3)18-12-7-8-13-19(18)25-21;/h4-8,10-13,16,20-21,24H,9,14-15H2,1-3H3;1H

InChIKey

DDOLUXRCVKFFOE-UHFFFAOYSA-N

Smiles

S1[C@@H]([C@@H](N(c2c1cccc2)CCCN(C)C)c1ccccc1)[C@@H](O)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 520mg/kg (520mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 16, Pg. 780, 1973.
rat LD50 oral 800mg/kg (800mg/kg) BEHAVIORAL: ANALGESIA Journal of Medicinal Chemistry. Vol. 16, Pg. 780, 1973.