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| CAS No.: | 608137-33-3 |
|---|---|
| Name: | (2S)-2,6-DIAMINO-N-[(1S)-1-METHYL-2-PHENYLETHYL]HEXANAMIDE DIMETHANESULFONATE |
| Molecular Structure: | |
![Molecular Structure of 608137-33-3 ((2S)-2,6-DIAMINO-N-[(1S)-1-METHYL-2-PHENYLETHYL]HEXANAMIDE DIMETHANESULFONATE)](http://www.lookchem.com/300w/201001/img/608137-33-3.jpg_ms) |
|
| Formula: | C15H25N3O.2(CH4O3S) |
| Molecular Weight: | 455.58982 |
| Synonyms: | (2S)-2,6-DIAMINO-N-[(1S)-1-METHYL-2-PHENYLETHYL]HEXANAMIDE DIMETHANESULFONATE;Lisedxamfetamine dimesylate; |
| EINECS: | 200-659-6 |
| Boiling Point: | 488 °C at 760 mmHg |
| Flash Point: | 248.9 °C |
| Hazard Symbols: | F,T |
| Risk Codes: | 11-23/24/25-39/23/24/25 |
| Safety: | 7-16-36/37-45 |
| PSA: | 206.64000 |
| LogP: | 4.15120 |
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Specification
The Lisdexamfetamine dimesylate with its cas register number is 608137-33-3. It also can be called as (2S)-2,6-Diamino-N-[(1S)-1-methyl-2-phenylethyl]hexanamide dimethanesulfonate and the IUPAC Name about this chemical is (2S)-2,6-diamino-N-[(2S)-1-phenylpropan-2-yl]hexanamide; methanesulfonic acid.
Physical properties about Lisdexamfetamine dimesylate are: (1)ACD/LogP: 0.72; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 4; (4)#H bond donors: 5; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 26.79Å2; (7)Enthalpy of Vaporization: 75.4 kJ/mol; (8)Vapour Pressure: 1.13E-09 mmHg at 25°C.
The Lisdexamfetamine dimesylate is inactive and it can be used as a prodrug to dextroamphetamine upon cleavage of the lysine portion of the molecule. It was developed for the intention of creating a longer-lasting and more difficult to abuse version of dextroamphetamine, as the requirement of conversion into dextroamphetamine in the gastrointestinal tract increases its duration and renders it ineffective upon any other ingestion routes than the oral route.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC1=CC=CC=C1)NC(=O)C(CCCCN)N.CS(=O)(=O)O.CS(=O)(=O)O
(2)Isomeric SMILES: C[C@@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)N.CS(=O)(=O)O.CS(=O)(=O)O
(3)InChI: InChI=1S/C15H25N3O.2CH4O3S/c1-12(11-13-7-3-2-4-8-13)18-15(19)14(17)9-5-6-10-16;2*1-5(2,3)4/h2-4,7-8,12,14H,5-6,9-11,16-17H2,1H3,(H,18,19);2*1H3,(H,2,3,4)/t12-,14-;;/m0../s1
(4)InChIKey: CETWSOHVEGTIBR-FORAGAHYSA-N