![Chemical structure of 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol, CAS 93413-62-8](https://api.angenesci.com/structure/252/93413-62-8.png)
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| CAS Number | 93413-62-8 |
| Catalog Number | AG006FY3(AGN-PC-00JQID) |
| Chemical Name | 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol |
| EC Number | 700-516-2 |
| IUPAC Name | 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol |
| InChI | InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3 |
| InChI Key | KYYIDSXMWOZKMP-UHFFFAOYSA-N |
| MDL Number | MFCD00871934 |
| Molecular Formula | C16H25NO2 |
| Molecular Weight | 263.3752 |
| SMILES | C1=CC(=CC=C1O)C(CN(C)C)C2(CCCCC2)O |
| 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,
Desvenlafaxine,
93413-62-8,
O-Desmethylvenlafaxine,
4-(2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)phenol,
4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol,
O-desmethyl venlafaxine,
Desvenlafaxine [INN:BAN],
DVS 233,
d,l-O-Desmethylvenlafaxine,
CHEBI:83527,
Wy-45233,
KYYIDSXMWOZKMP-UHFFFAOYSA-N,
Desvenlafaxine, 97%,
1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol,
AK-72949,
Phenol, 4-(2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl)-,
Khedezla,
Phenol, 4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]-,
ODV,
Desvenlafaxine (INN),
WY 45,233,
WY-45,233,
O-Desvenlafaxine,
HSDB 7993,
Khedezla (TN),
O-DESMETHYLVENLAFAXINE (ODV),
O-desmethyl-venlafaxine,
dl-o-desmethylvenlafaxin,
ACMC-20ek0k,
AC1L2NUV,
EC 700-516-2,
o-desmethyl venlafaxine-d10,
CHEMBL1118,
SCHEMBL34864,
MLS006010042,
(S)-Desmethyl Venlafaxine D6,
GTPL7158,
4-[2-dimethylamino-1-(1-hydroxycyclohexyl)ethyl]phenol,
BDBM86748,
CTK8E8385,
KS-00000FZO,
HMS3652K16,
BCP28517,
desvenlafaxine(o-desnethylvenfaxine),
HY-B0602,
MFCD00871934,
PDSP1_001804,
PDSP2_001787,
s4113,
AKOS015896311,
CS-2818,
DB06700,
DS-1282,
SB17444,
NSC_6918664,
NCGC00345883-04,
AT-19352,
BR-72949,
SC-82264,
SMR004701214,
O-Desmethylvenlafaxine, analytical standard,
AB0031560,
AX8123273,
LS-178212,
ST2410953,
TR-029259,
4CH-007182,
CAS_386750-22-7,
FT-0654519,
SW219514-2,
X4688,
O-Desmethylvenlafaxine 0.1 mg/ml in Methanol,
D07793,
J10126,
S-2830,
AB01563022_01,
413D628,
A844583,
I06-2078,
4-[2-Dimethyamino-1-(1-hydroxycyclohexyl)ethyl]phenol,
1-[1-(4-hydroxyphenyl)-2-dimethylaminoethyl]cyclohexanol,
1-[2-dimethylamino-1-(4-hydroxyphenyl)ethyl]cyclohexanol,
4-[1-(1-hydroxycyclohexyl)-2-(dimethylamino)ethyl]phenol,
4-[2-(dimethylamino)-1-(1-oxidanylcyclohexyl)ethyl]phenol,
4-[2-(Dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]phenol #,
(RS)-1-[2-(dimethylamino)-1-(4-hydroxyphenyl)ethyl]cyclohexanol,
O-Desmethylvenlafaxine solution, 1.0 mg/mL in methanol, certified reference material,
O-Desmethylvenlafaxine solution, 100 mug/mL in methanol, ampule of 1 mL, certified reference material,
Pristiq,
Norvenlafaxine,
Desvenlafaxine Succinate,
O desmethylvenlafaxine,
Desvenlafaxine [INN],
Desvenlafaxine fumarate,
O-desmethylvenlafax-ine,
WY 45233 succinate,
Succinate, Desvenlafaxine,
UNII-NG99554ANW,
D0O3FG,
D,L-O-Desmethyl Venlafaxine,
C16H25NO2,
NG99554ANW,
O desmethylvenlafaxine Succinate,
O-Desmethylvenlafaxine succinate,
R-(-)-O-Desmethyl Venlafaxine,
S-(+)-O-Desmethyl Venlafaxine,
Succinate, O-desmethylvenlafaxine,
DVS-233,
Wy 45233,
C16-H25-N-O2,
CID125017,
CS-O-01279,
WY45233,
WY45,233,
45233, WY,
O desmethylvenlafaxine Succinate Monohydrate,
O-desmethylvenlafaxine Succinate Monohydrate,
45,233, WY,
Monohydrate, O-desmethylvenlafaxine Succinate,
Succinate Monohydrate, O-desmethylvenlafaxine,
C086816,
D000069468,
Phenol, 4-[(1S)-2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]-,
142761-12-4,
142761-11-3,
2-(1-hydroxycyclohexyl)-2-((4-hydroxyphenyl)ethyl)dimethylammonium 3-carboxypropanoate monohydrate,
O-Desmethylvenlafaxine, 98%, a serotonin (5-HT) and norepinephrine (NE) reuptake inhibitor - 1G 1g,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.189g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.381g/mol |
| Monoisotopic Mass | 263.189g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H319 |
| Packing Group | |
| Precautionary statements | P305+P351+P338 |
| UN Code | \N |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
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| Formula: | ||
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