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Substance Name: Crisnatol mesylate [USAN]
RN: 96389-69-4
UNII: R6D31YA2WK
InChIKey: NJWBUDCAWGTQAS-UHFFFAOYSA-N

Classification Codes

  • Antineoplastic
  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H23-N-O2.C-H4-O3-S

Molecular Weight

  • 441.545
 
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Names and Synonyms

Name of Substance

  • Crisnatol mesylate [USAN]

Synonyms

  • 1,3-Propanediol, 2-((6-chrysenylmethyl)amino)-2-methyl-, methanesulfonate (salt)
  • 2-((6-Chrysenylmethyl)amino)-2-methyl-1,3-propanediol methanesulfonate (salt)
  • 770U82 Mesylate
  • BW A770U mesylate
  • BW-A 770U mesylate
  • Crisnatol mesylate
  • UNII-R6D31YA2WK

Systematic Name

  • 1,3-Propanediol, 2-((6-chrysenylmethyl)amino)-2-methyl-, methanesulfonate (salt)

Registry Numbers

CAS Registry Number

  • 96389-69-4

FDA UNII

  • R6D31YA2WK

System Generated Number

  • 0096389694

Molecular Formulas

Molecular Formula

  • C23-H23-N-O2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H23-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C23H23NO2.CH4O3S/c1-23(14-25,15-26)24-13-17-12-22-18-7-3-2-6-16(18)10-11-21(22)20-9-5-4-8-19(17)20;1-5(2,3)4/h2-12,24-26H,13-15H2,1H3;1H3,(H,2,3,4)

InChIKey

NJWBUDCAWGTQAS-UHFFFAOYSA-N

Smiles

c12c(c3ccccc3c(CNC(CO)(CO)C)c2)ccc2ccccc12.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD20 unreported 120mg/kg (120mg/kg)   Journal of Medicinal Chemistry. Vol. 34, Pg. 1983, 1991.
rat LD10 intravenous 29mg/kg (29mg/kg)   Investigational New Drugs. The Journal of New Anticancer Agents. Kluwer Academic Pub., POB 358, Accord Stn., Hingham, MA 02018) V.1- 1983-Vol. 9, Pg. 41, 1991.