T-611 hydrochloride

HCID 137332016

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Basic information

CAS: 350607-80-6
Standard SMILES: Cc1nc(N2CCOC[C@@H]2C)nc(-n2ccnc2)c1[N+](=O)[O-].Cl
InChIKey: APIOOIIYTVVHCO-FVGYRXGTSA-N
Molecular formula: C13H17ClN6O3
Average molar mass: 340.76 g/mol
Monoisotopic mass: 340.1050661

Names & identifiers

Preferred name: T-611 hydrochloride
IUPAC: (3S)-4-(4-imidazol-1-yl-6-methyl-5-nitropyrimidin-2-yl)-3-methylmorpholine;hydrochloride

Names & synonyms

T-611 hydrochlorideVA3OK59CRXT-902611 hydrochlorideT-0902611 hydrochlorideUNII-VA3OK59CRX350607-80-6(3S)-4-(4-Imidazol-1-yl-6-methyl-5-nitro-pyrimidin-2-yl)-3-methyl-morpholine hydrochloride2-(3S-3-Methylmorpholino)-4-(imidazol-1-yl)-6-methyl-5-nitropyrimidine hydrochlorideMorpholine, 4-(4-(1H-imidazol-1-yl)-6-methyl-5-nitro-2-pyrimidinyl)-3-methyl-, hydrochloride (1:1), (3S)-(S)-4-(4-(1H-Imidazol-1-yl)-6-methyl-5-nitropyrimidin-2-yl)-3-methylmorpholine hydrochloride

Database identifiers

CAS: 350607-80-6
PubChem CID: 137332016
UNII: VA3OK59CRX

Properties

Computed structural properties

Topological polar surface area: 102 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 406

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