(Q27077759)

CHEMBL569766 (English)

3 October 2016

chemical formula

C₂₁H₁₈BrNO₃

1 reference

CHEMBL569766 (English)

3 October 2016

canonical SMILES

CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5

1 reference

CHEMBL569766 (English)

3 October 2016

isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N[C@H]([C@@H]3[C@H]2C=CC3)C4=CC5=C(C=C4Br)OCO5

1 reference

CHEMBL569766 (English)

InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1

3 October 2016

different from

G1

0 references

Identifiers

InChI

1 reference

CHEMBL569766 (English)

3 October 2016

1 reference

CAS (formerly Chemical Abstracts Service)

CHEMBL569766 (English)

3 October 2016

1 reference

25 January 2022

1 reference

1-[(3aS,4R,9bR)-4-(6-Bromo-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethanone (English)

3 October 2016

2 references

CHEMBL569766 (English)

3 October 2016

ChEBI ID

156296

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

International Chemical Identifier

InChI

InChI=1S/C21H18BrNO3/c1-11(24)12-5-6-18-15(7-12)13-3-2-4-14(13)21(23-18)16-8-19-20(9-17(16)22)26-10-25-19/h2-3,5-9,13-14,21,23H,4,10H2,1H3/t13-,14+,21-/m1/s1

1 reference

CHEMBL569766 (English)

3 October 2016

2 references

inferred from InChIKey

Guide to Pharmacology Ligand ID

1 reference

1014

1 reference

stated in

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

1014

G1 (English)

3 October 2016

1 reference

UNII

TFS4QE36ZG

1 reference

Y3V5BV7OKM

1 reference