(Q15409344)

Purmorphamine (English)

7 October 2016

chemical formula

C₃₁H₃₂N₆O₂

1 reference

Purmorphamine (English)

7 October 2016

canonical SMILES

C1CCC(CC1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N5CCOCC5)OC6=CC=CC7=CC=CC=C76

1 reference

Purmorphamine (English)

InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)

7 October 2016

Identifiers

InChI

1 reference

Purmorphamine (English)

7 October 2016

2 references

Purmorphamine (English)

7 October 2016

stated in

ChEBI release 2020-09-01

2 references

purmorphamine (English)

7 October 2016

https://commonchemistry.cas.org/detail?cas_rn=483367-10-8

10 April 2021

1 reference

Purmorphamine (English)

7 October 2016

2 references

Purmorphamine (English)

7 October 2016

Reaxys registry number

10500685

1 reference

purmorphamine (English)

7 October 2016

ChEBI ID

63053

mapping relation type

2 references

purmorphamine (English)

7 October 2016

International Chemical Identifier

InChI

InChI=1S/C31H32N6O2/c1-2-9-25(10-3-1)37-21-32-28-29(33-23-13-15-24(16-14-23)36-17-19-38-20-18-36)34-31(35-30(28)37)39-27-12-6-8-22-7-4-5-11-26(22)27/h4-8,11-16,21,25H,1-3,9-10,17-20H2,(H,33,34,35)

1 reference

PURMORPHAMINE (English)

7 October 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

DTXCID10366144

0 references

Guide to Pharmacology Ligand ID

10356

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

2 references

Global Substance Registration System

UNII

PB12M2F8KY

PURMORPHAMINE (English)

7 October 2016