AG01E5B6

386750-22-7 | Desvenlafaxinesuccinatemonohydrate

AG01E5B6

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CAS Number	386750-22-7
Catalog Number	AG01E5B6(AGN-PC-0LVF07)
Chemical Name	Desvenlafaxinesuccinatemonohydrate
IUPAC Name	butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate
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
InChI Key	PWPDEXVGKDEKTE-UHFFFAOYSA-N
MDL Number	MFCD09970707
Molecular Formula	C20H33NO7
Molecular Weight	399.4785
SMILES	O.C(CCC(=O)O)(=O)O.CN(CC(C1(CCCCC1)O)C1=CC=C(C=C1)O)C
Synonyms	2-(1-hydroxycyclohexyl)-2-((4-hydroxyphenyl)ethyl)dimethylammonium 3-carboxypropanoate monohydrate, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol, 45,233, WY, 45233, WY, desvenlafaxine, desvenlafaxine succinate, Monohydrate, O-desmethylvenlafaxine Succinate, O desmethylvenlafaxine, O desmethylvenlafaxine Succinate, O desmethylvenlafaxine Succinate Monohydrate, O-desmethylvenlafaxine, O-desmethylvenlafaxine Succinate, O-desmethylvenlafaxine Succinate Monohydrate, Pristiq, Succinate Monohydrate, O-desmethylvenlafaxine, Succinate, Desvenlafaxine, Succinate, O-desmethylvenlafaxine, WY 45,233, WY 45233, WY-45,233, WY-45233, WY45,233, WY45233, 386750-22-7, Desvenlafaxine succinate monohydrate, Desvenlafaxine (succinate hydrate), Desvenlafaxine succinate hydrate, Desvenlafaxine Succinate [USAN], DVS-233, Desvenlafaxine succinate (USAN), butanedioic acid;4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrate, O-desmethylvenlafaxine Succinate Monohydrate, Desvenlafaxine Succinate Monohydrate (O-Desmethylvenlafaxine Succinate Monohydrate), Pristiq (TN), AC1OCFPN, Desvenlafaxine(succinatehydrate), SCHEMBL1278407, Desvenlafaxinesuccinatemonohydrate, CTK8E8387, HY-B0602A, BCP11463, KS-00001F7X, AKOS015900144, CS-4101, Desvenlafaxine succinate hydrate (JAN), AN-28535, AB1004576, RT-012288, FT-0700582, PF-05212375, D02570, K-8413, I14-10609, 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol succinate hydrate, 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; succinic acid; hydrate, butanedioic acid; 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol; hydrate, 1-((1RS)-2-(Dimethylamino)-1-(4-hydroxyphenyl)ethyl)cyclohexanol hydrogen butanedioate monohydrate, Butanedioic acid, compound with 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol (1:1), monohydrate, Desvenlafaxine succinate; 4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol succinate hydrate, Desvenlafaxine Succinate, Pristiq, O-Desmethylvenlafaxine, UNII-ZB22ENF0XR, Desvenalfaxine succinate, ZB22ENF0XR, D03CEF, DVS 233, O-Desmethylvenlafaxine succinate, Wy 45233, Wy-45233, CID6918664, Butanedioic acid, compd. with 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol, hydrate (1:1:1),

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	399.226g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	399.484g/mol
Monoisotopic Mass	399.226g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	119A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number