cinchonidine hydrochloride dihydrate (Q27231448)

UNII-01TO0B37BE (English)

13 October 2016

chemical formula

C₁₉H₂₇ClN₂O₃

1 reference

UNII-01TO0B37BE (English)

13 October 2016

canonical SMILES

C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.O.O.Cl

1 reference

UNII-01TO0B37BE (English)

13 October 2016

isomeric SMILES

C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O.O.O.Cl

1 reference

UNII-01TO0B37BE (English)

InChI=1S/C19H22N2O.ClH.2H2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;;;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H;2*1H2/t13-,14-,18-,19+;;;/m0.../s1

13 October 2016

Identifiers

InChI

1 reference

UNII-01TO0B37BE (English)

13 October 2016

1 reference

Global Substance Registration System

UNII-01TO0B37BE (English)

13 October 2016

1 reference

UNII

01TO0B37BE

cinchonidine hydrochloride dihydrate (English)

13 October 2016

1 reference

(8alpha,9R)-Cinchonan-9-ol hydrochloride dihydrate (English)

13 October 2016

2 references

UNII-01TO0B37BE (English)

matched by identifier from

13 October 2016

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

1 reference

2 references

matched by identifier from

DSSTOX compound identifier

0 references

2 references

Global Substance Registration System

UNII

01TO0B37BE

cinchonidine hydrochloride dihydrate (English)

matched by identifier from

13 October 2016