Products Categories
| CAS No.: | 74764-40-2 |
|---|---|
| Name: | Bepridil hydrochloride |
| Molecular Structure: | |
|
|
|
| Formula: | C24H34 N2 O . Cl H . H2 O |
| Molecular Weight: | 421.08 |
| Synonyms: | 1-Pyrrolidineethanamine,b-[(2-methylpropoxy)methyl]-N-phenyl-N-(phenylmethyl)-,monohydrochloride, monohydrate (9CI) |
| Melting Point: | 91 ±2° |
| Hazard Symbols: | Moderately toxic by ingestion. |
| Safety: | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−. |
| PSA: | 24.94000 |
| LogP: | 5.50580 |
- 81281-59-67-Benzylideneaminotheophylline
- 82993-81-5D-threo-Ritalinic acid hydrochloride
- 852475-26-4MC1568
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 894852-01-87-BROMO-2,2-DIMETHYL-2H-PYRIDO[3,2-B][1,4]OXAZIN-3(4H)-ONE
- 90221-55-92-bromo-5-methylbenzaldehyde
- 885590-99-82,3-DIFLUORO-4-IODOBENZALDEHYDE
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- Total:22 Page 1 of 1 1
What can I do for you?
Get Best Price
Chemistry
Molecule structure of 3-Isobutoxy-2-pyrrolidino-N-phenyl-N-benzylpropylamine hydrochloride hydrate (CAS NO.74764-40-2) :
IUPAC Name: N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline hydrate
hydrochloride
Molecular Weight: 421.01578 g/mol
Molecular Formula: C24H37ClN2O2
Boiling Point: 492.3 °C at 760 mmHg
Flash Point: 133.2 °C
Enthalpy of Vaporization: 75.92 kJ/mol
Vapour Pressure: 7.77E-10 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 10
Exact Mass: 420.254356
MonoIsotopic Mass: 420.254356
Topological Polar Surface Area: 16.7
Heavy Atom Count: 29
Complexity: 382
Canonical SMILES: CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.O.Cl
InChI: InChI=1S/C24H34N2O.ClH.H2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22;;/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3;1H;1H2
InChIKey: UEECHQPWQHYEDE-UHFFFAOYSA-N
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 23500ug/kg (23.5mg/kg) | German Offenlegungsschrift Patent Document. Vol. #2802864, | |
| mouse | LD50 | oral | 1955mg/kg (1955mg/kg) | German Offenlegungsschrift Patent Document. Vol. #2802864, | |
| mouse | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992. | |
| rat | LD50 | intravenous | > 21300ug/kg (21.3mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992. | |
| rat | LD50 | oral | 6850mg/kg (6850mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992. | |
| rat | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 23, Pg. 682, 1992. |
Safety Profile
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx, HCl, and Cl−.
WGK Germany: 2
RTECS: UY1162000
Specification
3-Isobutoxy-2-pyrrolidino-N-phenyl-N-benzylpropylamine hydrochloride hydrate (CAS NO.74764-40-2) is also called 1-(2-(N-Benzylanilino)-1-(isobutoxymethyl)ethyl)-pyrrolidine monohydrochloride monohydrate ; 1-Pyrrolideneethanamine, beta-((2-methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)-, monohydrochloride, monohydrate ; Angopril ; Bepadin ; Bepridil HCl ; Bepridil hydrochloride monohydrate ; Cordium ; UNII-4W2P15D93M ; Vascor ; 1-Pyrrolideneethanamine, beta-((2-methylpropoxy)methyl)-N-phenyl-N-(phenylmethyl)-, monohydrochloride, monohydrate . 3-Isobutoxy-2-pyrrolidino-N-phenyl-N-benzylpropylamine hydrochloride hydrate (CAS NO.74764-40-2) is white powder.