Quinine arsenate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	3C20H24N2O2.2AsH3O4
Molecular Weight	1257.1363
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O[As](O)(O)=O.O[As](O)(O)=O.[H][C@]1(C[C@@H]2CCN1C[C@@H]2C=C)[C@H](O)C3=C4C=C(OC)C=CC4=NC=C3.[H][C@]5(C[C@@H]6CCN5C[C@@H]6C=C)[C@H](O)C7=C8C=C(OC)C=CC8=NC=C7.[H][C@]9(C[C@@H]%10CCN9C[C@@H]%10C=C)[C@H](O)C%11=C%12C=C(OC)C=CC%12=NC=C%11

InChI

InChIKey=CDTYBBCOIQJQRO-INGJVHGESA-N

InChI=1S/3C20H24N2O2.2AsH3O4/c3*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;2*2-1(3,4)5/h3*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*(H3,2,3,4,5)/t3*13-,14-,19-,20+;;/m000../s1

HIDE SMILES / InChI

Molecular Formula	AsH3O4
Molecular Weight	141.943
Charge	0
Count

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

Molecular Formula	C20H24N2O2
Molecular Weight	324.4168
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:48:19 UTC 2023` Edited by `admin` on `Fri Dec 15 15:48:19 UTC 2023`
Record UNII	8C15XFK30P
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Quinine arsenate

Common Name

English

Cinchonan-9-ol, 6′-methoxy-, (8α,9R)-, arsenate (3:2) (salt)

Systematic Name

English

Quinine arsenate [WHO-DD]

Common Name

English

CHININUM ARSENICICUM [HPUS]

Common Name

English

CHININUM ARSENICICUM

Common Name

English

Arsenic acid (H<sub>3</sub>AsO<sub>4</sub>), compd. with (8α,9R)-6′-methoxycinchonan-9-ol (2:3)

Systematic Name

English

Classification Tree Code System Code

CFR

21 CFR 310.547