methylnaltrexone (Q411515)

Methylnaltrexone (English)

3 October 2016

chemical formula

C₂₁H₂₆NO₄⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6

1 reference

Methylnaltrexone (English)

3 October 2016

isomeric SMILES

C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6

1 reference

Methylnaltrexone (English)

World Health Organisation international non-proprietary name

3 October 2016

Methylnaltrexone (English)

1 reference

Methylnaltrexone (English)

medical condition treated

19 January 2016

constipation

1 reference

Drug Indications Extracted from FAERS

physically interacts with

2 October 2018

Opioid receptor delta 1

subject has role

antagonist

1 reference

17 August 2016

opioid receptor kappa 1

subject has role

antagonist

1 reference

17 August 2016

1 reference

Australian pregnancy category B1

17 August 2016

pregnancy category

1 reference

imported from Wikimedia project

English Wikipedia

US pregnancy category B

1 reference

imported from Wikimedia project

1 reference

Medical Subject Headings

15 March 2018

methylnaltrexone bromide

0 references

Commons category

Methylnaltrexone

0 references

Identifiers

InChI

InChI=1S/C21H25NO4/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13/h4-5,12,16,19,25H,2-3,6-11H2,1H3/p+1/t16-,19+,20+,21-,22?/m1/s1

1 reference

Methylnaltrexone (English)

JVLBPIPGETUEET-GAAHOAFPSA-O

3 October 2016

InChIKey

2 references

Methylnaltrexone (English)

3 October 2016

JVLBPIPGETUEET-GAAHOAFPSA-O

ChEBI release 2020-09-01

CAS Registry Number

83387-25-1

1 reference

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=83387-25-1

1 reference

Methylnaltrexone (English)

3 October 2016

1 reference

Methylnaltrexone (English)

3 October 2016

ChEBI ID

136007

mapping relation type

exact match

1 reference

ChEBI release 2019-10-02

1 reference

DSSTOX compound identifier

METHYLNALTREXONE (English)

3 October 2016

1 reference

0 references

DTXCID00820846

0 references

1 reference

methylnaltrexone (English)

3 October 2016

1 reference

Medical Subject Headings

14 March 2018

1 reference

26 February 2018

1 reference

METHYLNALTREXONE (English)

MedlinePlus drug identifier

19 January 2016

a616047

route of administration

oral administration

0 references

a608052

route of administration

subcutaneous injection

0 references

1 reference

METHYLNALTREXONE (English)

19 January 2016

0 references

1 reference

1 reference