![Chemical structure of (3-{2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)(methyl)amine, CAS 50-47-5](https://api.angenesci.com/structure/1323/50-47-5.png)
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| CAS Number | 50-47-5 |
| Catalog Number | AG00DELK(AGN-PC-07A1VQ) |
| Chemical Name | (3-{2-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)(methyl)amine |
| EC Number | 200-040-0 |
| IUPAC Name | 3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine |
| InChI | InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 |
| InChI Key | HCYAFALTSJYZDH-UHFFFAOYSA-N |
| MDL Number | MFCD00242884 |
| Molecular Formula | C18H22N2 |
| Molecular Weight | 266.3807 |
| SMILES | CNCCCN1C2=C(C=CC=C2)CCC2=C1C=CC=C2 |
| UNII | TG537D343B |
| Synonyms | Apo Desipramine,
Apo-Desipramine,
Demethylimipramine,
Desipramine,
Desipramine Hydrochloride,
Desmethylimipramine,
Hydrochloride, Desipramine,
Norpramin,
Novo Desipramine,
Novo-Desipramine,
Nu Desipramine,
Nu-Desipramine,
Pertofran,
Pertofrane,
Pertrofran,
Petylyl,
PMS Desipramine,
PMS-Desipramine,
Ratio Desipramine,
ratio-Desipramine,
desipramine,
Norimipramine,
Desmethylimipramine,
Desipramin,
Demethylimipramine,
Monodemethylimipramine,
50-47-5,
Desimipramine,
Dimethylimipramine,
Dezipramine,
Methylaminopropyliminodibenzyl,
3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN-5-YL)-N-METHYLPROPAN-1-AMINE,
desipraminum,
Desimpramine,
Desipramina,
Norpramine,
Sertofran,
DMI (pharmaceutical),
N-(3-Methylaminopropyl)iminobibenzyl,
5-(gamma-Methylaminopropyl)iminodibenzyl,
Desipramine (D4),
Pertrofane,
Imipramine, demethyl-,
DMI 50475,
Desipramine [INN:BAN],
Desipraminum [INN-Latin],
Desipramina [INN-Spanish],
UNII-TG537D343B,
CCRIS 7091,
5H-Dibenz[b,f]azepine-5-propanamine, 10,11-dihydro-N-methyl-,
HSDB 3052,
CHEMBL72,
EINECS 200-040-0,
10,11-Dihydro-5-(3-methylaminopropyl)-5H-dibenz(b,f)azepine,
BRN 1432747,
CHEBI:47781,
5H-Dibenz(b,f)azepine-5-propanamine, 10,11-dihydro-N-methyl-,
HCYAFALTSJYZDH-UHFFFAOYSA-N,
TG537D343B,
(3-(10H,11H-Dibenzo[b,f]azepin-5-yl)propyl)methylamine,
5H-Dibenz(b,f)azepine, 10,11-dihydro-5-(3-(methylamino)propyl)-,
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine,
Pentofran,
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methyl-propan-1-amine,
Desipramine (INN),
CAS-58-28-6,
NCGC00015340-02,
Treyzafagit,
5H-Dibenz[b,f]azepine, 10,11-dihydro-5-[3-(methylamino)propyl]-,
ZERO/006017,
Pertofran (Salt/Mix),
Spectrum_000441,
Pertofrane (Salt/Mix),
[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamine hydrochloride,
3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methylpropan-1-amine hydrochloride,
AC1L1EXQ,
Prestwick0_000343,
Prestwick1_000343,
Prestwick2_000343,
Prestwick3_000343,
Spectrum2_000091,
Spectrum3_000379,
Spectrum4_000314,
Spectrum5_000833,
Lopac-D-3900,
Lopac0_000358,
SCHEMBL34384,
BSPBio_000405,
BSPBio_002137,
KBioGR_000928,
KBioSS_000921,
DivK1c_000190,
SPBio_000042,
SPBio_002326,
BPBio1_000447,
GTPL2399,
DTXSID6022896,
BDBM35229,
KBio1_000190,
KBio2_000921,
KBio2_003489,
KBio2_006057,
KBio3_001357,
NINDS_000190,
10, 11-Dihydro-N-methyl-5H-dibez[b,f]azepine-5-propanamine,
HMS3430H03,
ALBB-025959,
ZINC1530611,
ZX-AN024471,
6943AB,
SBB002569,
STK735144,
AKOS001681456,
API0009063,
CCG-118231,
DB01151,
MCULE-5904286906,
IDI1_000190,
NCGC00015340-01,
NCGC00015340-03,
NCGC00015340-04,
NCGC00015340-05,
NCGC00015340-06,
NCGC00015340-07,
NCGC00015340-08,
NCGC00015340-09,
NCGC00015340-10,
NCGC00015340-11,
NCGC00015340-13,
NCGC00024375-04,
AC-15977,
AJ-26669,
AN-41558,
LS-60421,
ST052019,
SBI-0050346.P004,
AX8123821,
AB00053450,
R1868,
C06943,
D07791,
AB00053450_14,
050D475,
L001089,
BRD-K60762818-003-15-3,
5-(3-methylaminopropyl)-10,11-dihydro-5H-dibenzo[b,f]azepine,
[3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)propyl]methylamine,
5H-Dibenzo[b, f]azepine, N-(3-methylaminopropyl)-, 10,11-Dihydro,
3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-methyl-1-propanamine #,
3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl);-N-methylpropan-1-amine,
(3-{2-azatricyclo[9.4.0.0;{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl}propyl)(methyl)amine,
Pertofrane,
Norpramin,
Pertofran,
Desipramine Hcl,
Pertrofran,
Petylyl,
desipramin-,
Apo Desipramine,
Apo-Desipramine,
Desipramine hydrochloride,
Nu Desipramine,
Nu-Desipramine,
Novo Desipramine,
Novo-Desipramine,
PMS Desipramine,
PMS-Desipramine,
ratio-Desipramine,
Ratio Desipramine,
Pertofrane (TN),
Norpramin (TN),
3,5-Dimethylisoxazole,
Hydrochloride, Desipramine,
D01UTL,
C18H22N2,
CID2995,
C18-H22-N2,
CS-O-01339,
EX-4355,
JB-8181,
DMI,
A5553,
5-20-08-00096 (Beilstein Handbook Reference),
D003891,
10,11-dihydro-n-methyl-5h-dibenz[b,f]azepine-5-propanamine,
10,11-dihydro-5-[3-(methylamino)propyl]-5H-dibenz[b,f]azepine,
300-87-8,
58-28-6,
DSM,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.178g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.388g/mol |
| Monoisotopic Mass | 266.178g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 15.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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