CINCHONIDINE SULFATE TRIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C19H22N2O.3H2O.H2O4S
Molecular Weight	740.906
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CINCHONIDINE SULFATE TRIHYDRATE

Structure Search

SMILES

O.O.O.OS(O)(=O)=O.[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C3=C4C=CC=CC4=NC=C3.[H][C@]5(C[C@@H]6CC[N@]5C[C@@H]6C=C)[C@H](O)C7=C8C=CC=CC8=NC=C7

InChI

InChIKey=OURNGHKIKULCHM-DMMCLRCZSA-N

InChI=1S/2C19H22N2O.H2O4S.3H2O/c2*1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4;;;/h2*2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4);3*1H2/t2*13-,14-,18-,19+;;;;/m00..../s1

HIDE SMILES / InChI

Molecular Formula	H2O4S
Molecular Weight	98.078
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C19H22N2O
Molecular Weight	294.3908
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:01:15 UTC 2023` Edited by `admin` on `Fri Dec 15 15:01:15 UTC 2023`
Record UNII	31029T62CS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CINCHONIDINE SULFATE TRIHYDRATE

Common Name

English

CINCHONAN-9-OL, (8.ALPHA.,9R)-, SULFATE (2:1) (SALT), TRIHYDRATE

Common Name

English

CINCHONIDINE SULFATE TRIHYDRATE [MI]

Common Name

English

CINCHONIDINE SULPHATE TRIHYDRATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID10974884