Desvenlafaxine succinate supplier

Name
Desvenlafaxine succinate
EINECS
CAS No. 386750-22-7
Article Data3
CAS DataBase
Density
Solubility
Melting Point
Formula C₁₆H₂₅NO₂^.C₄H₆O₄^.H₂O
Boiling Point 403.8 °C at 760 mmHg
Molecular Weight 399.485
Flash Point 193.2 °C
Transport Information
Appearance White crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-((1RS)-2-(Dimethylamino)-1-(4-hydroxyphenyl)ethyl)cyclohexanol hydrogen butanedioate monohydrate;Desvenlafaxine Succinate [USAN];Wy 45233;Desvenlafaxine succinate monohydrate;Butanedioic acid, compound with 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol (1:1), monohydrate;Wy-45233;
PSA 118.30000
LogP 2.66840

Desvenlafaxine succinate Specification

The CAS register number of Desvenlafaxine succinate is 386750-22-7. It also can be called as 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol succinate hydrate and the systematic name about this chemical is 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol butanedioate hydrate (salt). The molecular formula about this chemical is C₁₆H₂₅NO₂^.C₄H₆O₄^.H₂O and the molecular weight is 399.48. It belongs to the APIs. This chemical is a metabolite of venlafaxine and it can be used as a serotonin and norepinephrine reuptake inhibitor.

Physical properties about Desvenlafaxine succinate are: (1)ACD/LogP: 2.26; (2)ACD/LogD (pH 5.5): -0.73; (3)ACD/LogD (pH 7.4): 0.52; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.32; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 21.7Å²; (12)Flash Point: 193.2 °C; (13)Enthalpy of Vaporization: 69.09 kJ/mol; (14)Boiling Point: 403.8 °C at 760 mmHg; (15)Vapour Pressure: 3.03E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC(=O)O.OC2(C(c1ccc(O)cc1)CN(C)C)CCCCC2.O
(2)InChI: InChI=1/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2
(3)InChIKey: PWPDEXVGKDEKTE-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2
(5)Std. InChIKey: PWPDEXVGKDEKTE-UHFFFAOYSA-N

Product Name

Desvenlafaxine succinate

Desvenlafaxine succinate Specification

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