| CAS Number | 16053-59-1 |
| Catalog Number | AG00AD7I(AGN-PC-088NL0) |
| Chemical Name | (R)-Phenoxybenzamine Hydrochloride |
| IUPAC Name | (2R)-N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride |
| InChI | InChI=1S/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/t16-;/m1./s1 |
| InChI Key | VBCPVIWPDJVHAN-PKLMIRHRSA-N |
| MDL Number | MFCD27978145 |
| Molecular Formula | C18H23Cl2NO |
| Molecular Weight | 340.2873 |
| SMILES | Cl.ClCCN(CC1=CC=CC=C1)[C@@H](COC1=CC=CC=C1)C |
| Synonyms | 16053-59-1,
(R)-Phenoxybenzamine Hydrochloride,
d-Phenoxybenzamine Hydrochloride,
DTXSID50679604,
(+)-Phenoxybenzamine Hydrochloride,
AKOS027447311,
FT-0673569,
UNII-X1IEG24OHL component VBCPVIWPDJVHAN-PKLMIRHRSA-N,
(+)-N-Benzyl-N-(2-chloroethyl)-1-phenoxyisopropylamine Hydrochloride,
(2R)-N-benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine;hydrochloride,
(2R)-N-Benzyl-N-(2-chloroethyl)-1-phenoxypropan-2-amine--hydrogen chloride (1/1),
(R)-N-(2-Chloroethyl)-N-(1-methyl-2-phenoxyethyl)benzenemethanamine Hydrochloride,
Phenoxybenzamine Hcl,
B1343,
63-92-3,
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| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.288g/mol |
| Monoisotopic Mass | 339.116g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number