samidorphan (Q7409428)

SAMIDORPHAN (English)

14 October 2016

chemical formula

C₂₁H₂₆N₂O₄

1 reference

SAMIDORPHAN (English)

14 October 2016

canonical SMILES

C1CC1CN2CCC34CC(=O)CCC3(C2CC5=C4C(=C(C=C5)C(=O)N)O)O

1 reference

SAMIDORPHAN (English)

14 October 2016

isomeric SMILES

C1CC1CN2CC[C@]34CC(=O)CC[C@]3([C@H]2CC5=C4C(=C(C=C5)C(=O)N)O)O

1 reference

SAMIDORPHAN (English)

InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1

14 October 2016

Identifiers

InChI

1 reference

SAMIDORPHAN (English)

14 October 2016

1 reference

Global Substance Registration System

SAMIDORPHAN (English)

14 October 2016

2 references

UNII

7W2581Z5L8

samidorphan (English)

14 October 2016

https://commonchemistry.cas.org/detail?cas_rn=852626-89-2

9 April 2021

1 reference

Samidorphan (English)

14 October 2016

2 references

SAMIDORPHAN (English)

14 October 2016

ChEBI ID

177605

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C21H26N2O4/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26)/t16-,20-,21-/m1/s1

1 reference

SAMIDORPHAN (English)

14 October 2016

2 references

inferred from InChIKey

1 reference

1 reference

Guide to Pharmacology Ligand ID

10651

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

DrugBank ID

DB12543

1 reference

Global Substance Registration System

UNII

7W2581Z5L8

2 references

stated in

UNII

7W2581Z5L8

samidorphan (English)

14 October 2016