alphacetylmethadol (Q4735230)

ALPHACETYLMETHADOL (English)

4 October 2016

1 reference

1 reference

C₂₃H₃₁NO₂

1 reference

ALPHACETYLMETHADOL (English)

18 November 2016

canonical SMILES

CCC(C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C

1 reference

ALPHACETYLMETHADOL (English)

18 November 2016

isomeric SMILES

CC[C@H](C(C[C@@H](C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C

1 reference

ALPHACETYLMETHADOL (English)

InChI=1S/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3/t18-,22-/m1/s1

18 November 2016

Identifiers

InChI

1 reference

ALPHACETYLMETHADOL (English)

XBMIVRRWGCYBTQ-XMSQKQJNSA-N

18 November 2016

InChIKey

1 reference

ALPHACETYLMETHADOL (English)

18 November 2016

3 references

Alphacetylmethadol (English)

http://chem.sis.nlm.nih.gov/chemidplus/rn/17199-58-5

9 April 2016

reference URL

stated in

Global Substance Registration System

UNII

BXF83S0HEL

https://commonchemistry.cas.org/detail?cas_rn=17199-58-5

alphacetylmethadol (English)

18 November 2016

6 April 2021

InChIKey

XBMIVRRWGCYBTQ-XMSQKQJNSA-N

1 reference

alphacetylmethadol (English)

18 November 2016

1 reference

ALPHACETYLMETHADOL (English)

18 November 2016

1 reference

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

ALPHACETYLMETHADOL (English)

18 November 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Alphacetylmethadol (English)

18 November 2016

2 references

Alphacetylmethadol (English)

http://chem.sis.nlm.nih.gov/chemidplus/rn/17199-58-5

9 April 2016

reference URL

stated in

Global Substance Registration System

UNII

BXF83S0HEL