(Q4596911)

CHEMBL288096 (English)

9 October 2016

chemical formula

C₁₉H₂₁NO₃

1 reference

CHEMBL288096 (English)

9 October 2016

canonical SMILES

CCCN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O

1 reference

CHEMBL288096 (English)

9 October 2016

isomeric SMILES

CCCN1CCC2=C3[C@H]1CC4=C(C3=CC(=C2)O)C(=C(C=C4)O)O

1 reference

CHEMBL288096 (English)

InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1

9 October 2016

Identifiers

InChI

1 reference

CHEMBL288096 (English)

HLRBSTGXOFUEHW-OAHLLOKOSA-N

9 October 2016

InChIKey

2 references

CHEMBL288096 (English)

reason for deprecated rank

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

79640-85-0

applies to other chemical entity

intended subject of deprecated statement

R(-)-TNPA HBr

1 reference

imported from Wikimedia project

0 references

1 reference

(6aR)-6-Propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol (English)

9 October 2016

1 reference

CHEMBL288096 (English)

9 October 2016

ChEBI ID

92298

mapping relation type

2 references

(8R)-7-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,13,14-triol (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C19H21NO3/c1-2-6-20-7-5-12-8-13(21)10-14-17(12)15(20)9-11-3-4-16(22)19(23)18(11)14/h3-4,8,10,15,21-23H,2,5-7,9H2,1H3/t15-/m1/s1

1 reference