Teloxantrone hydrochloride
Basic information
- CAS
132937-88-3- Standard SMILES
CNCCN=c1ccc2c3c1c(O)c1c(O)ccc(=O)c1c3[nH]n2CCNCCO.Cl.Cl.O- InChIKey
QIOWSFVWXXHGEG-UHFFFAOYSA-N- Molecular formula
- C21H29Cl2N5O5
- Average molar mass
- 502.4 g/mol
- Monoisotopic mass
- 501.1545744
Overview
See also: Teloxantrone Hydrochloride (annotation moved to).
Names & identifiers
- Preferred name
- Teloxantrone hydrochloride
- IUPAC
- 6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-10-[2-(methylamino)ethylimino]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one;hydrate;dihydrochloride
- English name
- DuP-937
- Molecular weight
- 0
Names & synonyms
Teloxantrone hydrochlorideMoxantrazoleDUP 937NSC-355644Teloxantrone HClTeloxantrone hydrochloride [USAN]7ZQK8VIO6V132937-88-3DUP-937NSC 355644Teloxantrone hydrochloride (USAN)Anthra(1,9-cd)pyrazol-6(2H)-one, 7,10-dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-(methylamino)ethyl)amino)-, dihydrochloride, monohydrate
Show more names
PD-113309Anthra[1,9-cd]pyrazol-6(2H)-one, 7,10-dihydroxy-2-[2-[(2-hydroxyethyl)amino]ethyl]-5-[[2-(methylamino)ethyl]amino]-, dihydrochloride, monohydrate
UNII-7ZQK8VIO6V7,10-Dihydroxy-2-(2-((2-hydroxyethyl)amino)ethyl)-5-((2-(methylamino)ethyl)amino)anthra(1,9-cd)pyrazol-6(2H)-one, dihydrochloride, monohydrate7,10-Dihydroxy-2-[2-[(2-hydroxyethyl)amino]ethyl]-5-[[2-(methylamino)ethyl]amino]anthra[1,9-cd]pyrazol-6(2H)-one, dihydrochloride, monohydrateSCHEMBL3195CHEMBL3989649SCHEMBL29397399DTXSID90927873Teloxantrone hydrochloride hydrate
Database identifiers
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 997
Physicochemical properties
- FDA UNII
- 7 ZQK8VIO6V · 7ZQK8VIO6V
Chemistry & industry
Applications
UsesTeloxantrone (CI-937; DUP 937) hydrochloride hydrate is a potent anticancer agent. Teloxantrone hydrochloride hydrate also is a DNA synthesis inhibitor[1].
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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