ritobegron ethyl hydrochloride (Q27278017)

UNII-FJ94YR550A (English)

14 October 2016

chemical formula

C₂₃H₃₂ClNO₅

1 reference

UNII-FJ94YR550A (English)

14 October 2016

canonical SMILES

CCOC(=O)COC1=C(C=C(C(=C1)C)CCNC(C)C(C2=CC=C(C=C2)O)O)C.Cl

1 reference

UNII-FJ94YR550A (English)

14 October 2016

isomeric SMILES

CCOC(=O)COC1=C(C=C(C(=C1)C)CCN[C@@H](C)[C@@H](C2=CC=C(C=C2)O)O)C.Cl

1 reference

UNII-FJ94YR550A (English)

InChI=1S/C23H31NO5.ClH/c1-5-28-22(26)14-29-21-13-15(2)19(12-16(21)3)10-11-24-17(4)23(27)18-6-8-20(25)9-7-18;/h6-9,12-13,17,23-25,27H,5,10-11,14H2,1-4H3;1H/t17-,23-;/m0./s1

14 October 2016

Identifiers

InChI

1 reference

UNII-FJ94YR550A (English)

SDZAMDXEQUMDBE-DQFHVVJASA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-FJ94YR550A (English)

14 October 2016

1 reference

UNII

FJ94YR550A

ritobegron ethyl hydrochloride (English)

14 October 2016

1 reference

Ethyl [4-(2-{[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)-2-propanyl]amino}ethyl)-2,5-dimethylphenoxy]acetate hydrochloride (1:1) (English)

14 October 2016

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

UNII-FJ94YR550A (English)

14 October 2016

1 reference

1 reference

DSSTOX compound identifier

0 references

1 reference

Global Substance Registration System

UNII

FJ94YR550A

ritobegron ethyl hydrochloride (English)