cis-(-)-sertraline

chemical compound

Wikidata entity: Q27275847

C₁₇H₁₇Cl₂N (P274)

Quantities

P2067mass305.074

P233 canonical SMILES String CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl ???
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P2017 isomeric SMILES String CN[C@@H]1CC[C@@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl ???
P3364 stereoisomer of ... Q407617 (sertraline) sertraline
P3364 stereoisomer of ... Q27166476 ((1S,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine) (1S,4R)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
P3364 stereoisomer of ... Q27260225 (trans-(+/-)-sertraline) trans-(+/-)-sertraline
P279 subclass of ... Q126615335 (4-(3,4-Dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine) 4-(3,4-Dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
External Ids
P231CAS Registry Number79617-98-4
P592ChEMBL IDCHEMBL252744
P661ChemSpider ID49113
P3117DSSTox substance IDDTXSID401036448
P234InChIInChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3/t12-,17-/m1/s1
P235InChIKeyVGKDLMBJGBXTGI-SJKOYZFVSA-N
P11199Probes And Drugs IDPD160414
P662PubChem CID54375
P2877SureChEMBL ID137618
P2877SureChEMBL ID29690831
P11089UniChem compound ID963676
P652UNIICVO48CMI7U

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