QUININE BENZOATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H28N2O3
Molecular Weight	428.5228
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](OC(=O)C3=CC=CC=C3)C4=C5C=C(OC)C=CC5=NC=C4

InChI

InChIKey=UOXLNYIYPISSFF-KBCVXPAYSA-N

InChI=1S/C27H28N2O3/c1-3-18-17-29-14-12-20(18)15-25(29)26(32-27(30)19-7-5-4-6-8-19)22-11-13-28-24-10-9-21(31-2)16-23(22)24/h3-11,13,16,18,20,25-26H,1,12,14-15,17H2,2H3/t18-,20-,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H28N2O3
Molecular Weight	428.5228
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 15:57:52 UTC 2023` Edited by `admin` on `Fri Dec 15 15:57:52 UTC 2023`
Record UNII	M7NJZ2VIKX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

QUININE BENZOATE

Common Name

English

QUININE, BENZOATE (ESTER)

Common Name

English

CINCHONAN-9-OL, 6'-METHOXY-, 9-BENZOATE, (8.ALPHA.,9R)-

Common Name

English

O-BENZOYLQUININE

Common Name

English

BENZOYLQUININE

Common Name

English

Quinine benzoate [WHO-DD]

Common Name

English

Code System Code Type Description

EVMPD

SUB15087MIG