Crisnatol

CAS

96389-68-3

Catalog Number

ACM96389683

Category

Inhibitors

Molecular Weight

345.43

Molecular Formula

C₂₃H₂₃NO₂

MSDS COA Spec Sheet

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Specification

Description

Crisnatol (BWA770U) is an orally active and anticancer agent, and a member of the arylmethylaminopropanediol class of DNA intercalators. Crisnatol shows in vitro cytotoxicity against human breast cancer cells, but not normal human skin fibroblasts.

Synonyms

2-((6-chrysenylmethyl)amino)-2-methyl-1,3-propanediol; Crisnatol [INN]; UNII-2J71UR51UE; 1,3-Propanediol,2-((6-chrysenylmethyl)amino)-2-methyl; Crisnatolum [Latin]; CRISNATOL; Crisnatolum;

IUPAC Name

2-(chrysen-6-ylmethylamino)-2-methylpropane-1,3-diol

Canonical SMILES

CC(CO)(CO)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41

InChI Key

SBRXTSOCZITGQG-UHFFFAOYSA-N

Boiling Point

620.9ºC at 760mmHg

Flash Point

194.5ºC

Density

1.242g/cm³

Appearance

Solid

Storage

4°C, sealed storage, away from moisture and light*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light)

Exact Mass

345.17300

H-Bond Acceptor

H-Bond Donor

Shipping

Can be shipped at room temperature, where not in use may vary.

What is the molecular formula of Crisnatol?

The molecular formula of Crisnatol is C23H23NO2.

What is the molecular weight of Crisnatol?

The molecular weight of Crisnatol is 345.4 g/mol.

What is the IUPAC name of Crisnatol?

The IUPAC name of Crisnatol is 2-(chrysen-6-ylmethylamino)-2-methylpropane-1,3-diol.

What is the InChI of Crisnatol?

The InChI of Crisnatol is InChI=1S/C23H23NO2/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/h2-12,24-26H,13-15H2,1H3.

What is the InChIKey of Crisnatol?

The InChIKey of Crisnatol is SBRXTSOCZITGQG-UHFFFAOYSA-N.

What is the canonical SMILES of Crisnatol?

The canonical SMILES of Crisnatol is CC(CO)(CO)NCC1=CC2=C(C=CC3=CC=CC=C32)C4=CC=CC=C41.

What is the CAS number of Crisnatol?

The CAS number of Crisnatol is 96389-68-3.

What is the UNII of Crisnatol?

The UNII of Crisnatol is 2J71UR51UE.

What is the ChEMBL ID of Crisnatol?

The ChEMBL ID of Crisnatol is CHEMBL61495.

Is Crisnatol a canonicalized compound?

Yes, Crisnatol is a canonicalized compound according to PubChem.