indatraline (Q6015699)

Indatraline (English)

9 October 2016

chemical formula

C₁₆H₁₅Cl₂N

1 reference

Indatraline (English)

19 November 2016

canonical SMILES

CNC1CC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

1 reference

Indatraline (English)

19 November 2016

isomeric SMILES

CN[C@@H]1C[C@H](C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl

1 reference

Indatraline (English)

InChI=1S/C16H15Cl2N/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10/h2-8,13,16,19H,9H2,1H3/t13-,16+/m0/s1

19 November 2016

related image

Indatralinesynth.png
3,178 × 1,166; 68 KB

0 references

Commons category

Indatraline

0 references

Identifiers

InChI

1 reference

Indatraline (English)

SVFXPTLYMIXFRX-XJKSGUPXSA-N

19 November 2016

InChIKey

2 references

Indatraline (English)

Global Substance Registration System

19 November 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

86939-10-8

2 references

stated in

UNII

4U40Y96J1Z

indatraline (English)

SVFXPTLYMIXFRX-XJKSGUPXSA-N

19 November 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=86939-10-8

1 reference

(1R,3S)-3-(3,4-Dichlorophenyl)-N-methyl-1-indanamine (English)

19 November 2016

1 reference

Indatraline (English)

19 November 2016

ChEBI ID

94467

mapping relation type

1 reference

(1R,3S)-3-(3,4-dichlorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine (English)

9 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

(R,S)-INDATRALINE (English)

19 November 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

4U40Y96J1Z