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| CAS Number | 1977-10-2 |
| Catalog Number | AG002AYT(AGN-PC-0JK6PX) |
| Chemical Name | Loxapine |
| EC Number | 217-835-3 |
| IUPAC Name | 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine |
| InChI | InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3 |
| InChI Key | XJGVXQDUIWGIRW-UHFFFAOYSA-N |
| MDL Number | MFCD00242836 |
| Molecular Formula | C18H18ClN3O |
| Molecular Weight | 327.8080 |
| SMILES | ClC=1C=CC=2OC=3C=CC=CC3N=C(C2C1)N4CCN(C)CC4 |
| UNII | LER583670J |
| Synonyms | 2-Chloro-11-(4-methyl-1-piperazinyl)-dibenz(b,f)(1,4)oxazepine,
CL 71,563,
CL-71,563,
CL71,563,
Cloxazepine,
Hydrochloride, Loxapine,
Loxapine,
Loxapine Hydrochloride,
Loxapine Monohydrochloride,
Loxapine Succinate,
Loxapinsuccinate,
Loxipine Maleate,
Loxipine Succinate,
Loxitane,
Maleate, Loxipine,
Oxilapine,
Succinate, Loxapine,
loxapine,
Cloxazepine,
Oxilapine,
Loxitane,
Loxapin,
1977-10-2,
Dibenzacepin,
Dibenzoazepine,
Loxapina,
Loxapinum,
Lossapina [DCIT],
Adasuve,
Hydrofluoride 3170,
Loxitane IM,
Loxapinum [INN-Latin],
Loxapina [INN-Spanish],
Loxapac,
CL-62362,
SUM 3170,
HF3170,
Loxapine [USAN:INN:BAN],
HF 3170,
LW 3170,
S-805,
CHEMBL831,
C18H18ClN3O,
CL 62362,
UNII-LER583670J,
SUM-3170,
S 805,
CHEBI:50841,
HSDB 3111,
2-chloro-11-(4-methylpiperazin-1-yl)dibenzo[b,f][1,4]oxazepine,
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine,
LER583670J,
EINECS 217-835-3,
BRN 0626753,
2-Chloro-11-(4-methylpiperazino)dibenzo(b,f)(1,4)oxazepine,
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,5]benzoxazepine,
Loxapinsuccinate,
2-Chloro-11-(4-methyl-1-piperazinyl)dibenz(b,f)(1,4)oxazepine,
2-Chloro-11-(4-methyl-1-piperazinyl)dibenz[b,f][1,4]oxazepine,
Dibenz(b,f)(1,4)oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-,
Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(4-methyl-1-piperazinyl)-,
LOXITANE C,
CL-71563,
Lossapina,
Loxepine,
AZ-004,
Loxapine (USAN/INN),
Loxapine [USAN:BAN:INN],
CL-71,563,
Staccato loxapine,
Loxapine (water),
Loxapine (DMSO),
Adasuve (TN),
Loxitane Intramuscular,
Spectrum_000355,
CL71,563,
SpecPlus_000823,
AC1Q3ZWR,
2-Chloro-11-(4-methyl-1-piperazinyl)-dibenz(b,f)(1,4)oxazepine,
Prestwick0_000132,
Prestwick1_000132,
Prestwick2_000132,
Prestwick3_000132,
Spectrum2_001737,
Spectrum3_001830,
Spectrum5_001857,
Loxitane-C Oral Suspension,
AC1L1H3Z,
Lopac0_000720,
SCHEMBL94146,
BSPBio_000204,
BSPBio_003479,
GTPL205,
KBioSS_000835,
DivK1c_006919,
SPBio_001814,
SPBio_002143,
BPBio1_000226,
DTXSID7023229,
BDBM22871,
KBio1_001863,
KBio2_000835,
KBio2_003403,
KBio2_005971,
KBio3_002983,
XJGVXQDUIWGIRW-UHFFFAOYSA-N,
3785AH,
PDSP1_001058,
PDSP2_001042,
ZINC19796158,
AKOS030526111,
API0006785,
CCG-204805,
CS-1105,
DB00408,
QTL1_000050,
NCGC00021145-01,
NCGC00021145-02,
NCGC00021145-03,
NCGC00021145-04,
NCGC00021145-05,
NCGC00021145-06,
NCGC00021145-07,
NCGC00021145-08,
NCGC00022279-03,
NCGC00022279-04,
NCGC00022279-05,
HY-17390,
LS-61562,
CL 62,362,
C07104,
D02340,
W-5098,
AB00053735_15,
AB00053735_16,
977L102,
L001085,
BRD-K39915878-036-04-6,
BRD-K39915878-036-05-3,
BRD-K39915878-036-15-2,
2-Chloro-11-(4-methylpiperazino)dibenz[b,f][1,4]oxazepine,
8-chloro-6-(4-methylpiperazino)benzo[b][1,4]benzoxazepine;succinic acid,
13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene,
13-chloro-10-(4-methylpiperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene,
Loxapine succinate,
Loxipine Maleate,
Loxapine HCl,
Loxipine Succinate,
Maleate, Loxipine,
Loxapine hydrochloride,
Loxitane (TN),
Succinate, Loxapine,
Loxapac (TN),
Hydrochloride, Loxapine,
Loxapine monohydrochloride,
D0U5OE,
CID3964,
CL 71,563,
1682B,
B1001,
D008152,
|
| Complexity | 450 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.812g/mol |
| Monoisotopic Mass | 327.114g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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