![Chemical structure of 2-Chloro-11-(1-piperazinyl)dibenz[b,f][1,4]oxazepine, CAS 14028-44-5](https://api.angenesci.com/structure/3741/14028-44-5.png)
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| CAS Number | 14028-44-5 |
| Catalog Number | AG001C87(AGN-PC-07Y4AS) |
| Chemical Name | 2-Chloro-11-(1-piperazinyl)dibenz[b,f][1,4]oxazepine |
| EC Number | 237-867-1 |
| IUPAC Name | 8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine |
| InChI | InChI=1S/C17H16ClN3O/c18-12-5-6-15-13(11-12)17(21-9-7-19-8-10-21)20-14-3-1-2-4-16(14)22-15/h1-6,11,19H,7-10H2 |
| InChI Key | QWGDMFLQWFTERH-UHFFFAOYSA-N |
| MDL Number | MFCD00069210 |
| Molecular Formula | C17H16ClN3O |
| Molecular Weight | 313.7814 |
| NSC Number | 759559 |
| SMILES | Clc1ccc2c(c1)C(=Nc1c(O2)cccc1)N1CCNCC1 |
| UNII | R63VQ857OT |
| Synonyms | 2-Chloro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepine,
Amoxapine,
Asendin,
Asendis,
CL 67,772,
CL-67,772,
CL67,772,
Défanyl,
Demolox,
Desmethylloxapine,
amoxapine,
14028-44-5,
Asendin,
Demolox,
Moxadil,
Amoxan,
Amoxapinum,
Amoxapina,
Amoxepine,
Asendis,
Desmethylloxapin,
Ascendin,
Amoxapinum [INN-Latin],
Amoxapina [INN-Spanish],
CL 67772,
2-Chloro-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepine,
Dibenz[b,f][1,4]oxazepine, 2-chloro-11-(1-piperazinyl)-,
UNII-R63VQ857OT,
CL-67772,
EINECS 237-867-1,
MFCD00069210,
BRN 0832057,
C17H16ClN3O,
CHEMBL1113,
2-Chlor-11-(1-piperazinyl)dibenz(b,f)(1,4)oxazepin,
2-Chloro-11-(1-piperazinyl)dibenz[b,f][1,4]oxazepine,
MLS000069371,
2-chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine,
CHEBI:2675,
R63VQ857OT,
QWGDMFLQWFTERH-UHFFFAOYSA-N,
Desmethylloxapine,
DIBENZ(b,f)(1,4)OXAZEPINE, 2-CHLORO-11-(1-PIPERAZINYL)-,
8-chloro-6-piperazin-1-ylbenzo[b][1,4]benzoxazepine,
2-chloro-11-piperazin-1-yldibenzo[b,f][1,4]oxazepine,
NCGC00015004-09,
CPD000058416,
Defanyl,
SMR000058416,
CAS-14028-44-5,
DSSTox_CID_2598,
DSSTox_RID_76652,
DSSTox_GSID_22598,
8-chloro-6-piperazin-1-yl-benzo[b][1,4]benzoxazepine,
(E)-2-chloro-11-(piperazin-1-yl)dibenzo[b,f][1,4]oxazepine,
13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaene,
Asendin (TN),
Amoxapine [USAN:BAN:INN:JAN],
SR-01000003001,
amoxipine,
Amoxapin,
CL-67,772,
Prestwick_503,
Amoxapine [USAN:USP:INN:BAN:JAN],
KS-1197,
Opera_ID_33,
Spectrum_000446,
Lopac-A-129,
CL 67,772,
Prestwick0_000102,
Prestwick1_000102,
Prestwick2_000102,
Prestwick3_000102,
Spectrum2_001245,
Spectrum3_001067,
Spectrum4_001218,
Spectrum5_001284,
A-129,
AC1L1D2U,
Lopac0_000116,
REGID_for_CID_2170,
SCHEMBL33950,
BSPBio_000084,
BSPBio_002654,
GTPL201,
KBioGR_001656,
KBioSS_000926,
ZINC931,
DivK1c_000236,
SPECTRUM2300161,
SPBio_001150,
SPBio_002023,
Amoxapine (JP17/USP/INN),
BPBio1_000094,
2-Chloro-11-(1-piperazinyl)dibenzo[b,f][1,4]oxazepine,
DTXSID7022598,
BDBM22870,
CTK8F7751,
HMS500L18,
KBio1_000236,
KBio2_000926,
KBio2_003494,
KBio2_006062,
KBio3_001874,
2-Chloro-11-(1-piperazinyl)-dibenz[b,f][1,4]oxazepine,
NINDS_000236,
HMS1568E06,
HMS2089G10,
HMS2093N08,
HMS2095E06,
HMS2231E13,
HMS3259G08,
HMS3260G14,
HMS3370P03,
HMS3712E06,
Pharmakon1600-02300161,
HY-B0991,
KS-000014ZS,
Tox21_110064,
Tox21_302352,
Tox21_500116,
ABP000992,
BG0035,
CCG-39135,
NSC759559,
PDSP1_001609,
PDSP2_001593,
s4218,
AKOS015895092,
Tox21_110064_1,
AC-5495,
CS-4485,
DB00543,
LP00116,
MCULE-9583761109,
NC00546,
NSC-759559,
VA10272,
IDI1_000236,
NCGC00015004-01,
NCGC00015004-02,
NCGC00015004-03,
NCGC00015004-04,
NCGC00015004-05,
NCGC00015004-06,
NCGC00015004-07,
NCGC00015004-08,
NCGC00015004-10,
NCGC00015004-11,
NCGC00015004-13,
NCGC00015004-16,
NCGC00023887-03,
NCGC00023887-04,
NCGC00023887-05,
NCGC00023887-06,
NCGC00255124-01,
NCGC00260801-01,
AN-10914,
BC657161,
LS-61563,
O286,
SAM002564189,
SC-79931,
SBI-0050104.P003,
AK01050722,
EU-0100116,
FT-0659871,
A16406,
D00228,
AB00052421-13,
AB00052421_14,
AB00052421_15,
028A445,
A807639,
C-54133,
L001293,
I06-0520,
J-007373,
SR-01000003001-2,
SR-01000003001-4,
SR-01000003001-6,
8-chloro-6-piperazin-1-ylbenzo[b][1,5]benzoxazepine,
BRD-K02265150-001-05-9,
BRD-K02265150-001-15-8,
2-Chloro-11-(1-piperazinyl)dibenz[b,f]-1,4-oxazepine,
2-Chloro-11-(1-piperazinyl)dibenzo[b,f]-1,4-oxazepine,
2-Chloro-11-piperazin-1-yl-dibenzo[b,f][1,4]oxazepine,
8-chloro-6-(1-piperazinyl)benzo[b][1,4]benzoxazepine,
Z1551429736,
2-Chloro-11-(1-piperazinyl)- dibenz[b,f][1,4]oxazepine,
2-Chloro-11-(1-piperazinyl)dibenzo[b,f][1,4]oxazepine #,
8-chloranyl-6-piperazin-1-yl-benzo[b][1,4]benzoxazepine,
Amoxapine, 1.0 mg/mL in methanol, certified reference material,
Amoxapine, United States Pharmacopeia (USP) Reference Standard,
Dibenzo[b,f][1,4]oxazepine, 2-chloro-11-(1-piperazinyl)-,
Amoxapine, Pharmaceutical Secondary Standard; Certified Reference Material,
13-chloro-10-(piperazin-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-(piperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene,
Amoxapine-d8,
Asendis (TN),
Defanyl (TN),
Demolox (TN),
Moxadil (TN),
D09IOI,
Amoxapine (JP15/USP/INN),
C17-H16-Cl-N3-O,
CID2170,
Amoxapine [USAN:INN:BAN:JAN],
AC-814,
CS-O-05678,
CL67,772,
A2499,
B1660,
D000657,
Dibenzo [b, f] [1,4] oxazepina, 2-cloro-11-(1-piperazinil)-,
|
| Complexity | 424 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.785g/mol |
| Monoisotopic Mass | 313.098g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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