N-desmethylsertraline

chemical compound

Wikidata entity: Q5264613

C₁₆H₁₅Cl₂N (P274)


Wikimedia Commons category is Desmethylsertraline



Quantities

P2067mass291.058

P233 canonical SMILES String C1CC(C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl)N ???
P373 Commons category String Desmethylsertraline ???
P8224 image of molecular model or crystal lattice model CommonsMedia http://commons.wikimedia.org/wiki/Special:FilePath/Desmethylsertraline%20molecule%20ball.png ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String C1C[C@@H](C2=CC=CC=C2[C@@H]1C3=CC(=C(C=C3)Cl)Cl)N ???
P3364 stereoisomer of ... Q27076989 (dasotraline) dasotraline
P3364 stereoisomer of ... Q81983378 ((1S,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine) (1S,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine
P3364 stereoisomer of ... Q81983380 ((1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine) (1R,4R)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-1-naphthalenamine
P279 subclass of ... Q126610006 (cis-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine) cis-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine

External Ids
P231CAS Registry Number87857-41-8
P592ChEMBL IDCHEMBL40733
P661ChemSpider ID102729
P715DrugBank IDDB14071
P8494DSSTOX compound identifierDTXCID90159157
P3117DSSTox substance IDDTXSID60236666
P646Freebase ID/m/07s8czm
P234InChIInChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1
P235InChIKeySRPXSILJHWNFMK-ZBEGNZNMSA-N
P6689MassBank accession IDMSBNK-Athens_Univ-AU156601
P6689MassBank accession IDMSBNK-Athens_Univ-AU156602
P6689MassBank accession IDMSBNK-Athens_Univ-AU156603
P6689MassBank accession IDMSBNK-Athens_Univ-AU156604
P6689MassBank accession IDMSBNK-Athens_Univ-AU156605
P6366Microsoft Academic ID (discontinued)2776037110
P11199Probes And Drugs IDPD085666
P662PubChem CID114743
P4964SPLASHsplash10-056r-0940000000-f6f0d930307a11073262
P4964SPLASHsplash10-0bt9-0900000000-35a42826e5703dbe1a76
P4964SPLASHsplash10-0bt9-0900000000-45c9868eb684bdfcb224
P4964SPLASHsplash10-0bt9-0900000000-cac93f0820b20de2d09d
P2877SureChEMBL ID145234
P11089UniChem compound ID137751
P652UNIICJJ71O9BE8

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