- Tapentadol
- Tapentadol hydrochloride
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| Name |
Tapentadol hydrochloride |
EINECS | 200-659-6 |
| CAS No. | 175591-09-0 | Density | 0.97g/cm3 |
| PSA | 23.47000 | LogP | 3.88550 |
| Solubility | N/A | Melting Point |
178-194°C |
| Formula | C14H24ClNO | Boiling Point | 323.493°C at 760 mmHg |
| Molecular Weight | 257.804 | Flash Point | 134.18°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 7-16-36/37-45 | Risk Codes | 11-23/24/25-39/23/24/25 |
| Molecular Structure |
|
Hazard Symbols | F,T |
| Synonyms |
Phenol,3-[(1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride (9CI);Phenol, 3-[3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride,[R-(R*,R*)]-;Phenol,3-[(1R,2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride (1:1); |
Article Data | 41 |
Tapentadol hydrochloride Specification
The Tapentadol hydrochloride, with the CAS registry number 175591-09-0, is also known as Phenol, 3-[(1R, 2R)-3-(dimethylamino)-1-ethyl-2-methylpropyl]-, hydrochloride (1:1). This chemical's molecular formula is C14H24ClNO and molecular weight is 257.799460. What's more, its IUPAC name is 3-[(2R, 3R)-1-(Dimethylamino)-2-methylpentan-3-yl]phenol hydrochloride. In addition, Tapentadol hydrochloride is a norepinephrine reuptake inhibitor. Besides, it is a novel, centrally acting oral analgesic with a dual mode of action that has demonstrated efficacy in preclinical and clinical models of pain relief.
Physical properties about Tapentadol hydrochloride are: (1)H-Bond Donor: 2; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 5; (4)Tautomer Count: 9; (5)Exact Mass: 257.154642; (6)MonoIsotopic Mass: 257.154642; (7)Topological Polar Surface Area: 23.5; (8)Heavy Atom Count: 17; (9)Formal Charge: 0; (10)Complexity: 193; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 2; (13)Undefined Atom StereoCenter Count: 0; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 2.
You can still convert the following datas into molecular structure:
(1) Canonical SMILES: CCC(C1=CC(=CC=C1)O)C(C)CN(C)C.Cl
(2) Isomeric SMILES: CC[C@@H](C1=CC(=CC=C1)O)[C@@H](C)CN(C)C.Cl
(3) InChI: InChI=1S/C14H23NO.ClH/c1-5-14(11(2)10-15(3)4)12-7-6-8-13(16)9-12;/h6-9, 11,14,16H,5,10H2,1-4H3;1H/t11-,14+;/m0./s1
(4) InChIKey: ZELFLGGRLLOERW-YECZQDJWSA-N