M&B 18706

HCID 3084994

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 30220-05-4
Standard SMILES: CCCCC(=O)c1ccc2c(c1)N(CC(C)CN(C)C)c1ccccc1S2
InChIKey: PLWIHJQIXGBKFL-UHFFFAOYSA-N
Molecular formula: C23H30N2OS
Average molar mass: 382.6 g/mol
Monoisotopic mass: 382.20788476

Overview

reduces decerebrate rigidity, muscle spindle afferent activity, pressor activity of norepinephrine; structure

Names & identifiers

Preferred name: M&B 18706
IUPAC: 1-[10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-2-yl]pentan-1-one

Names & synonyms

M&B 1870651989-35-6M&B 18,706VZF9Y55TTC1-Pentanone, 1-(10-(3-(dimethylamino)-2-methylpropyl)-10H-phenothiazin-2-yl)-1-Pentanone, 1-[10-[3-(dimethylamino)-2-methylpropyl]-10H-phenothiazin-2-yl]-RefChem:15484010-(3-dimethylamino-2-methylpropyl)-2-valeroylphenothiazine.HCl10-(3-Dimethylamino-2-methylpropyl)-2-valeroylphenothiazine hydrochloride1-Pentanone, 1-(10-(3-(dimethylamino)-2-methylpropyl)-10H-phenothiazin-2-yl)-, monohydrochloride, (+-)-1-[10-[3-(dimethylamino)-2-methylpropyl]phenothiazin-2-yl]pentan-1-oneCHEMBL160472

Show more names

SCHEMBL11884942DTXSID809663121-{10-[3-(Dimethylamino)-2-methylpropyl]-10H-phenothiazin-2-yl}pentan-1-oneM & B 18,7061-[10-[3-(Dimethylamino)-2-methylpropyl]-10H-phenothiazin-2-yl]-1-pentanone30220-05-4

Database identifiers

CAS: 30220-05-4、51989-35-6
PubChem CID: 3084994
DTXSID: DTXSID80966312

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 48.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 8
Heavy atoms: 27
Formal charge: 0
Complexity: 483

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…