Tvx 2656

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Basic information

CAS: 62885-98-7
Standard SMILES: COc1cc(/C=C/C(=O)OC(Cc2c(C)c3ccc(NC(=O)N4CCOCC4)cc3oc2=O)CN2CCOCC2)cc(OC)c1OC.Cl
InChIKey: VYASFWMYUYWMLJ-HAAWTFQLSA-N
Molecular formula: C34H42ClN3O10
Average molar mass: 688.2 g/mol
Monoisotopic mass: 687.2558722

Overview

RN & NM refer to mono-HCl; RN in Negwer for parent cpd: 62380-23-8; structure

Names & identifiers

Preferred name: Tvx 2656
IUPAC: [1-[4-methyl-7-(morpholine-4-carbonylamino)-2-oxochromen-3-yl]-3-morpholin-4-ylpropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate;hydrochloride

Names & synonyms

Tvx 265662885-98-7TVX-26562-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, 1-((4-methyl-7-((4-morpholinylcarbonyl)amino)-2-oxo-2H-1-benzopyran-3-yl)methyl)-2-(4-morpholinyl)ethyl ester, monohydrochlorideRefChem:192608Cinecromen hydrochloride[1-[4-methyl-7-(morpholine-4-carbonylamino)-2-oxochromen-3-yl]-3-morpholin-4-ylpropan-2-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate;hydrochloride

Database identifiers

CAS: 62885-98-7
PubChem CID: 6444372

Properties

Computed structural properties

Topological polar surface area: 134 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 11
Rotatable bonds: 12
Heavy atoms: 48
Formal charge: 0
Complexity: 1,120

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Compound notes

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