Codeine-N-oxide (Q5140133)

Codeine-N-oxide (English)

4 October 2016

chemical formula

C₁₈H₂₁NO₄

1 reference

Codeine-N-oxide (English)

4 October 2016

canonical SMILES

C[N+]1(CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O)[O-]

1 reference

Codeine-N-oxide (English)

4 October 2016

isomeric SMILES

C[N@@+]1(CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O)[O-]

1 reference

Codeine-N-oxide (English)

InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19-/m0/s1

4 October 2016

Identifiers

InChI

1 reference

Codeine-N-oxide (English)

4 October 2016

1 reference

Codeine-N-oxide (English)

4 October 2016

1 reference

Codeine-N-oxide (English)

4 October 2016

1 reference

Genkodein (English)

4 October 2016

2 references

Codeine-N-oxide (English)

4 October 2016

ChEBI ID

175049

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13-,17-,18-,19-/m0/s1

1 reference

2 references

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

DSSTOX compound identifier

DTXCID60112850

0 references

EC number

222-988-4

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.020.899

27 December 2018

ECHA Substance Infocard ID

Codeine N-oxide (English)

quotation

CAS no.: 3688-65-1 (English)

100.020.899

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.020.899

27 December 2018

Codeine N-oxide (English)

quotation

CAS no.: 3688-65-1 (English)

DrugBank ID

DB01568

1 reference

reason for deprecated rank

UNII

Z32OFX7V17

cannot be confirmed by other sources

1 reference