(Q27075143)

beta-Funaltrexamine (English)

4-[[3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-4-oxo-2-butenoic acid methyl ester

3 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀N₂O₆

1 reference

beta-Funaltrexamine (English)

3 October 2016

canonical SMILES

COC(=O)C=CC(=O)NC1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O

1 reference

beta-Funaltrexamine (English)

3 October 2016

isomeric SMILES

COC(=O)/C=C/C(=O)N[C@@H]1CC[C@]2([C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O

1 reference

beta-Funaltrexamine (English)

3 October 2016

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

C024524

InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1

15 March 2018

Identifiers

InChI

1 reference

beta-Funaltrexamine (English)

3 October 2016

2 references

beta-Funaltrexamine (English)

3 October 2016

stated in

ChEBI release 2020-09-01

2 references

beta-Funaltrexamine (English)

3 October 2016

https://commonchemistry.cas.org/detail?cas_rn=72782-05-9

10 April 2021

1 reference

Methyl (2E)-4-{[(5alpha,6beta)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxo-2-butenoate (English)

3 October 2016

2 references

beta-Funaltrexamine (English)

3 October 2016

ChEBI ID

81527

mapping relation type

2 references

beta-Funaltrexamine (English)

3 October 2016

International Chemical Identifier

InChI

InChI=1S/C25H30N2O6/c1-32-20(30)7-6-19(29)26-16-8-9-25(31)18-12-15-4-5-17(28)22-21(15)24(25,23(16)33-22)10-11-27(18)13-14-2-3-14/h4-7,14,16,18,23,28,31H,2-3,8-13H2,1H3,(H,26,29)/b7-6+/t16-,18-,23+,24+,25-/m1/s1

1 reference

CHEMBL473136 (English)

3 October 2016

1 reference

0 references

1 reference

Guide to Pharmacology Ligand ID

1631

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1631

β-FNA (English)

3 October 2016

1 reference

Medical Subject Headings

14 March 2018

1 reference

0 references

1 reference

beta-Funaltrexamine (English)