Input interpretation
phenoxybenzamine hydrochloride
Chemical names and formulas
formula | C_18H_23Cl_2NO name | phenoxybenzamine hydrochloride IUPAC name | benzyl-(2-chloroethyl)-(1-phenoxypropan-2-yl)azanium chloride alternate names | dibenzyline hydrochloride mass fractions | C (carbon) 63.5% | Cl (chlorine) 20.8% | H (hydrogen) 6.81% | N (nitrogen) 4.12% | O (oxygen) 4.7%
Structure diagram
Structure diagram
vertex count | 22 edge count | 23 Schultz index | 4388 Wiener index | 1046 Hosoya index | 24408 Balaban index | 1.722
Basic properties
molar mass | 340.3 g/mol phase | solid (at STP) melting point | 138.8 °C
Units
Hydrophobicity and permeability properties
experimental LogP hydrophobicity | 4.7 predicted LogP hydrophobicity | 4.26 predicted LogS | -4.47
Basic drug properties
approval status | approved | small molecule drug categories | adrenergic alpha-antagonist | antihypertensive agent | vasodilator agent dosage forms | oral: capsule
brand names | bensylyt | bensylyt nen | bensylyte | benzylyt | dibenylin | dibenyline | dibenzylene | dibenzyline | dibenzyline hydrochloride | dibenzyran
Chemical identifiers
CC2=CC=CC=C2.[Cl-] InChI identifier | InChI=1/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11, 16H, 12-15H2, 1H3;1H/fC18H23ClNO.Cl/h20H;1h/q+1;-1 InChI key | QZVCTJOXCFMACW-UHFFFAOYAX EU number | 200-569-7 RTECS number | DP3750000 NSC number | 37448](../image_source/e51674be343fbdfdc33c0d11eae8ae3a.png)
CAS number | 63-92-3 Beilstein number | 3747029 PubChem CID number | 6141 PubChem SID number | 9639 SMILES identifier | CC(COC1=CC=CC=C1)[NH+](CCCl)CC2=CC=CC=C2.[Cl-] InChI identifier | InChI=1/C18H22ClNO.ClH/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17;/h2-11, 16H, 12-15H2, 1H3;1H/fC18H23ClNO.Cl/h20H;1h/q+1;-1 InChI key | QZVCTJOXCFMACW-UHFFFAOYAX EU number | 200-569-7 RTECS number | DP3750000 NSC number | 37448
Toxicity properties
RTECS classes | tumorigen | drug | mutagen | reproductive effector | human data