| CAS Number | 51062-14-7 |
| Catalog Number | AG00DF1R(AGN-PC-0WBN20) |
| Chemical Name | Trimethoxy Dobutamine Hydrochloride |
| EC Number | 610-606-2 |
| IUPAC Name | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine;hydrochloride |
| InChI | InChI=1S/C21H29NO3.ClH/c1-16(5-6-17-7-10-19(23-2)11-8-17)22-14-13-18-9-12-20(24-3)21(15-18)25-4;/h7-12,15-16,22H,5-6,13-14H2,1-4H3;1H |
| InChI Key | LNDHIIVUCMAZNW-UHFFFAOYSA-N |
| MDL Number | MFCD18969556 |
| Molecular Formula | C21H30ClNO3 |
| Molecular Weight | 379.9208 |
| SMILES | Cl.COc1ccc(CCC(C)NCCc2ccc(OC)c(OC)c2)cc1 |
| Synonyms | Trimethoxy Dobutamine Hydrochloride,
51062-14-7,
Dobutamine Impurity C HCl,
SCHEMBL9817747,
Trimethoxydobutamine Hydrochloride,
DTXSID10549839,
ACM51062147,
FT-0675590,
(2RS)-N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine Hydrochloride,
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine;hydrochloride,
N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-methoxy-|A-methylbenzenepropanamine Hydrochloride,
N-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)butan-2-amine--hydrogen chloride (1/1),
LNDHIIVUCMAZNW-UHFFFAOYSA-N,
CS-T-62425,
4-[2-{[3- -1-Methylpropyl]amino]ethyl]-1,2-dimethoxybenzenehydrochloride,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.191g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.925g/mol |
| Monoisotopic Mass | 379.191g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 39.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number