(Q7030497)

Nicomorphine (English)

18 November 2016

chemical formula

C₂₉H₂₅N₃O₅

1 reference

Nicomorphine (English)

18 November 2016

canonical SMILES

CN1CCC23C4C1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)OC3C(C=C4)OC(=O)C7=CN=CC=C7

1 reference

Nicomorphine (English)

18 November 2016

isomeric SMILES

CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)OC(=O)C7=CN=CC=C7

1 reference

Nicomorphine (English)

https://www.whocc.no/atc_ddd_index/?code=N02AA04

18 November 2016

defined daily dose

30 milligram

route of administration

oral administration

1 reference

reference URL

30 milligram

route of administration

parenteral route of administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=N02AA04

30 milligram

route of administration

rectal route of administration

1 reference

reference URL

https://www.whocc.no/atc_ddd_index/?code=N02AA04

0 references

1 reference

Medical Subject Headings

15 March 2018

Nicomorphine

0 references

Identifiers

InChI

InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29-/m0/s1

1 reference

Nicomorphine (English)

18 November 2016

2 references

Nicomorphine (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

639-48-5

2 references

Global Substance Registration System

nicomorphine (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=639-48-5

9 April 2021

1 reference

Nicomorphine (English)

18 November 2016

2 references

Nicomorphine (English)

18 November 2016

ChEBI ID

135797

mapping relation type

exact match

2 references

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C29H25N3O5/c1-32-13-10-29-20-7-9-23(36-28(34)19-5-3-12-31-16-19)26(29)37-25-22(8-6-17(24(25)29)14-21(20)32)35-27(33)18-4-2-11-30-15-18/h2-9,11-12,15-16,20-21,23,26H,10,13-14H2,1H3/t20-,21+,23-,26-,29-/m0/s1

1 reference

NICOMORPHINE (English)

18 November 2016

2 references

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID30136008

0 references

EC number

211-357-9

1 reference

Global Substance Registration System

nicomorphine (English)

ECHA Substance Infocard ID

18 November 2016

100.010.326

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.010.326

27 December 2018

Nicomorphine (English)

quotation

CAS no.: 639-48-5 (English)

0 references

1 reference

Medical Subject Headings

14 March 2018

1 reference

2 references

Global Substance Registration System

nicomorphine (English)

18 November 2016