(Q27276864)

hepronicate (English)

14 October 2016

chemical formula

C₂₈H₃₁N₃O₆

1 reference

hepronicate (English)

14 October 2016

canonical SMILES

CCCCCCC(COC(=O)C1=CN=CC=C1)(COC(=O)C2=CN=CC=C2)COC(=O)C3=CN=CC=C3

1 reference

hepronicate (English)

InChI=1S/C28H31N3O6/c1-2-3-4-5-12-28(19-35-25(32)22-9-6-13-29-16-22,20-36-26(33)23-10-7-14-30-17-23)21-37-27(34)24-11-8-15-31-18-24/h6-11,13-18H,2-5,12,19-21H2,1H3

14 October 2016

Identifiers

InChI

1 reference

hepronicate (English)

14 October 2016

2 references

hepronicate (English)

Global Substance Registration System

14 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

7237-81-2

2 references

stated in

UNII

E4RK86FAVR

hepronicate (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=7237-81-2

10 April 2021

1 reference

hepronicate (English)

14 October 2016

1 reference

hepronicate (English)

14 October 2016

ChEBI ID

31668

mapping relation type

exact match

1 reference

stated in

ChEBI release 2019-10-02

1 reference

matched by identifier from

HEPRONICATE (English)

14 October 2016

2 references

inferred from InChIKey

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

1 reference

1 reference

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

E4RK86FAVR

hepronicate (English)

matched by identifier from

14 October 2016