Azapetine Phosphate

HCID 67409

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Basic information

CAS: 130-83-6
Standard SMILES: C=CCN1Cc2ccccc2-c2ccccc2C1.O=P(O)(O)O
InChIKey: SRNXLNNBIYZIHB-UHFFFAOYSA-N
Molecular formula: C17H20NO4P
Average molar mass: 333.32 g/mol
Monoisotopic mass: 333.11299512

Overview

See also: Azapetine (has active moiety).

Names & identifiers

Preferred name: Azapetine Phosphate
IUPAC: phosphoric acid;6-prop-2-enyl-5,7-dihydrobenzo[d][2]benzazepine

Names & synonyms

Azapetine phosphateIlidarAzephineAzeptane phosphate130-83-6Azepine phosphateIlidar phosphateRo 2-3248EINECS 204-997-5NSC 312320NSC-312320UNII-0N2U15U85W

Show more names

6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepine phosphate0N2U15U85W6,7-Dihydro-6-(2-propenyl)-5H-dibenz(c,e)azepine phosphateRo-2-32485H-Dibenz(c,e)azepine, 6,7-dihydro-6-allyl-, phosphate (1:1)5H-Dibenz(c,e)azepine, 6,7-dihydro-6-(2-propenyl)-, phosphate (1:1)6-Allyl-6,7-dihydro-5H-dibenz(c,e)azepin-dihydrogenphosphatDTXSID30156281

Database identifiers

CAS: 130-83-6
PubChem CID: 67409
DTXSID: DTXSID30156281
ChEMBL: CHEMBL2103986
UNII: 0N2U15U85W
EC Number: 204-997-5

Properties

Computed structural properties

Topological polar surface area: 81 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 23
Formal charge: 0
Complexity: 311

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