Nortriptyline
PubChem CID: 4543
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| Compound Synonyms | nortriptyline, 72-69-5, Aventyl, Desitriptilina, Noramitriptyline, Lumbeck, Avantyl, Desmethylamitriptyline, Noritren, Sensaval, Ateben, Demethylamitriptyline, Sesaval, Nortryptiline, Nortryptyline, Demethylamitryptyline, Pamelor, Nortriptilina, Nortriptylinum, Nortrilen, Amitryptyline, demethyl-, Psychostyl, Nortriptylinum [INN-Latin], nortriptylina, CCRIS 9175, UNII-BL03SY4LXB, BL03SY4LXB, 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methyl-, EINECS 200-788-8, NSC-757234, BRN 2216786, CHEBI:7640, Aventyl, Desitriptilina, Nortriptyline (INN), HSDB 3371, 5-(3-Methylaminopropylidene)-10,11-dihydro-5H-dibenzo(a,d)cycloheptene, 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-1-propanamine, Pamelor hydrochloride, 5-(3-(Methylamino)propylidene)dibenzo(a,e)cyclohepta(1,5)diene, NCI-169453, 5-(alpha-Methylaminopropylidene)dibenzo(a,d)cyclohepta(1,4)diene, N-Methyl-3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-yliden)propylamin, 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo(a,d)(1,4)cycloheptene, 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptene-delta(5,gamma)-propylamine, 3-(10,11-Dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methylpropylamine, 3-(10,11-dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methylpropan-1-amine, N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine, Desitriptyline, DTXSID9023384, Nortriptylene hydrochloride, 1-Propanamine, 3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methyl-, 5H-Dibenzo(a,d)cycloheptene-delta(sup 5),gamma-propylamine, 10,11-dihydro-N-methyl-, NSC 757234, Desmethylamitriptylin, Nortriptilina [DCIT], NSC169453, NORTRIPTYLINE [INN], Nortriptylinum (INN-Latin), Nortriptyline [INN:BAN], Demethylamitriptylene, 10,11-dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Delta(5,gamma)-propylamine, 3-(10,11-DIHYDRO-5H-DIBENZO(A,D)(7)ANNULEN-5-YLIDENE)-N-METHYLPROPAN-1-AMINE, Nortrilen (TN), NSC78248, CAS-894-71-3, Lambeck, 5-[3-(Methylamino)propylidene]dibenzo[a,E]cyclohepta[1,5]diene, Triptyline-M nor, 10,11-Dihydro-5-(3-methylaminopropylidene)-5H-dibenzo[a,d][1,4]cycloheptene, 10,11-dihydro-N-methyl-5H-dibenzo(a,d)cycloheptene-delta5,gamma-propylamine, 10,11-dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-Delta5,gamma-propylamine, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-methyl-1-propanamine, 3-(10,11-Dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)-N-methylpropylamine, Demethylamitryptylene, NCI169453, Spectrum_001041, Psychostyl (Salt/Mix), Prestwick0_000254, Prestwick1_000254, Prestwick2_000254, Prestwick3_000254, Spectrum2_000997, Spectrum3_000526, Spectrum4_000455, Spectrum5_001377, Lopac-N-7261, NORTRIPTYLINE [MI], CHEMBL445, Nortiptylinum (INN-Latin), NCIStruc1_000856, NCIStruc2_000700, NCIOpen2_004361, BIDD:PXR0187, Lopac0_000868, SCHEMBL34527, BSPBio_000068, BSPBio_002111, KBioGR_000870, KBioSS_001521, NORTRIPTYLINE [VANDF], DivK1c_000151, SPECTRUM1500442, SPBio_001093, SPBio_002287, NORTRIPTYLINE [WHO-DD], BPBio1_000076, DTXCID903384, GTPL2404, HMS500H13, KBio1_000151, KBio2_001521, KBio2_004089, KBio2_006657, KBio3_001611, N06AA10, NINDS_000151, 3-(10,11-Dihydro-5H-dibenzo, BDBM112777, HMS1920B20, HMS2091J20, KUC112478N, Pharmakon1600-01500442, CCG-38266, NCGC00014483, NSC757234, PDSP1_001805, PDSP2_001788, DB00540, FN28876, SDCCGSBI-0050843.P006, (2)10,11-Dihydro-N-methyl-5H-dibenzo[a,d]cycloheptene-.delta.5.gamma.-propylamine, IDI1_000151, MRF-0000480, QTL1_000063, NCGC00014483-02, NCGC00014483-03, NCGC00014483-04, NCGC00014483-05, NCGC00014483-06, NCGC00014483-07, NCGC00014483-08, NCGC00014483-09, NCGC00014483-10, NCGC00014483-11, NCGC00014483-12, NCGC00014483-14, NCGC00014483-16, NCGC00014483-23, NCGC00024261-03, NCGC00024261-04, NCGC00024261-05, NCGC00024261-06, DA-56264, KSC-315-028-, methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene]propyl})amine, MS-23718, NCI60_001354, SBI-0050843.P004, US8629135, SW-02, DB-240489, HY-118620, AB00052061, CS-0067638, NS00010393, EN300-57709, C07274, D08288, F82279, Q61387, AB00052061_16, SR-01000000223-4, BRD-K91263825-003-03-2, BRD-K91263825-003-21-4, AMITRIPTYLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY], 10,11-Dihydro-N-methyl-5H-dibenzo(a,d)cycloheptane-.DELTA.,.gamma.-propylamine, 10,11-DIHYDRO-N-METHYL-5H-DIBENZO(A,D)CYCLOHEPTENE-D(SUP5,.GAMMA.)-PROPYLAMINE, 10,11-DIHYDRO-N-METHYL-5H-DIBENZO(A,D)CYCLOHEPTENE-D(SUP5,gamma)-PROPYLAMINE, 3-(10,11-Dihydro-5H-dibenzo[a,d] cyclohepten-5-ylidene)-N-methyl-1-propanamine, 3-(10,11-Dihydro-5H-dibenzo[a,d][7]annulen-5-ylidene)-N-methyl-1-propanamine, 3-(5,6-dihydrodibenzo[[?],[?]][7]annulen-11-ylidene)-N-methyl-propan-1-amine, 5H-Dibenzo(a,d)cycloheptene-delta(5,gamma)-propylamine, 10,11-dihydro-N-methyl, 5H-Dibenzo[a,d]cycloheptene-.DELTA.5,.gamma.-propylamine, 10,11-dihydro-N-methyl-, 200-788-8, 21B, methyl({3-[(2E)-tricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-2-ylidene]propyl})amine, methyl(3-{tricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-ylidene}propyl)amine |
|---|---|
| Topological Polar Surface Area | 12.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 307.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q9NY46, P23975, P10633, P10634, P12938, Q64680, P10635, P28565, P43140, P31390, P47747, P28593, P02545, P42858, P51151, P16473, P42345, P33261, P97697, O15118, P08482, P40225, P04637, P08684, n.a., Q16236, P21728, Q96KQ7, O15296, Q96QE3, P05177, P10632, P11473, Q99700, P39748, P35503, P22310, P15823, P25100, P08913, P18089, P18825, P35462, Q01959, P35367, P25021, P11229, P08172, P20309, P08173, P08912, P19327, P28564, P28223, P41595, P28335, P50406, P31645, P25094, P11021, O75496, Q9NUW8, P15289, P27695, P31648, P31651, P31649, P31650, P51589, P07949, O95342, Q92887, O15438, O15439, P11712 |
| Iupac Name | N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine |
| Prediction Hob | 1.0 |
| Target Id | NPT228, NPT110, NPT483, NPT1197, NPT537, NPT210, NPT940, NPT213, NPT538, NPT96, NPT539, NPT109, NPT208, NPT628, NPT221, NPT222, NPT223, NPT224, NPT242, NPT244, NPT246, NPT251, NPT252, NPT262, NPT263, NPT264, NPT265, NPT266, NPT290, NPT291, NPT292, NPT294, NPT295, NPT3370 |
| Xlogp | 4.5 |
| Molecular Formula | C19H21N |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHVGLTMQBUFIQQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.321 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.622 |
| Compound Name | Nortriptyline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 263.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 263.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 263.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.560280799999999 |
| Inchi | InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3 |
| Smiles | CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Thymus Quinquecostatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Thymus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all