N,N'-di-1,2,3,4-tetrahydroacridin-9-ylheptane-1,7-diamine (Q27457176)

bis(7)-Tacrine (English)

19 October 2016

chemical formula

C₃₃H₄₀N₄

1 reference

bis(7)-Tacrine (English)

19 October 2016

canonical SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCNC4=C5CCCCC5=NC6=CC=CC=C64

1 reference

bis(7)-Tacrine (English)

InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)

19 October 2016

Identifiers

InChI

1 reference

bis(7)-Tacrine (English)

ITZOKHKOFJOBFS-UHFFFAOYSA-N

19 October 2016

InChIKey

2 references

bis(7)-Tacrine (English)

19 October 2016

stated in

ChEBI release 2020-09-01

0 references

1 reference

N,N'-Di(1,2,3,4-tetrahydro-9-acridinyl)-1,7-heptanediamine (English)

19 October 2016

2 references

bis(7)-Tacrine (English)

matched by identifier from

19 October 2016

InChIKey

ITZOKHKOFJOBFS-UHFFFAOYSA-N

ChEBI ID

138435

mapping relation type

exact match

2 references

stated in

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C33H40N4/c1(2-12-22-34-32-24-14-4-8-18-28(24)36-29-19-9-5-15-25(29)32)3-13-23-35-33-26-16-6-10-20-30(26)37-31-21-11-7-17-27(31)33/h4,6,8,10,14,16,18,20H,1-3,5,7,9,11-13,15,17,19,21-23H2,(H,34,36)(H,35,37)

1 reference

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

CHEMBL32823 (English)

19 October 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID00380379

0 references

Human Metabolome Database ID

HMDB0249253

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ITZOKHKOFJOBFS-UHFFFAOYSA-N

0 references

1 reference

2CKM (English)