quinine sulfate

CHEBI:52250 ·resolve ·ANTIPROTOZOAL ·EXACT SEEDED

A organic sulfate salt obtained from guanethidine and sulfuric acid in a 2:1 ratio. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

Label unavailable CHEBI:51337

Chemical structure

Computed structure properties
Molecular formula	2H.2C20H24N2O2.O4S
Charge	0
Average mass	746.927 Da
Monoisotopic mass	746.33494 Da
Source	ChEBI
InChIKey	RONWGALEIBILOG-VMJVVOMYSA-N

SMILES

O=S(=O)([O-])[O-].[H+].[H+].[H][C@@]1([C@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]2CC[N@@]1C[C@@H]2C=C.[H][C@@]1([C@H](O)c2ccnc3ccc(OC)cc23)C[C@@H]2CC[N@@]1C[C@@H]2C=C

InChI

InChI=1S/2C20H24N2O2.H2O4S/c2*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;1-5(2,3)4/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4)/t2*13-,14-,19-,20+;/m00./s1

Also called

bis[(8α,9R)-6'-methoxycinchonan-9-ol] sulfate (EXACT_SYNONYM)— chebi
Quinine bisulfate (EXACT_SYNONYM)— chebi
Quinine hydrogen sulfate (EXACT_SYNONYM)— chebi
Quinine sulfate (2:1) (EXACT_SYNONYM)— chebi
Quinine sulfate anhydrous (EXACT_SYNONYM)— chebi

Cross-references

Identifiers for this same structure in other resources. An accession that lands on two different structures in this corpus is withheld from both rather than shown here, since it names at most one of them.

cas:804-63-7
reaxys:3582804

Drug registries

Identifiers that name a drug rather than a structure. One of these can cover a parent compound, its salts and its stereoisomers, which this corpus keeps as separate records, so it is not an equivalence of structure.

drugbank:DB00468

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

antimalarial CHEBI:38068

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:52250`	quinine sulfate	`antibioticmech:chebi-36bac99736`	2026-08-30

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-09-10 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record (YAML).

Explore across X-Mech: MediaIngredientMech (quinine sulfate) · CultureMech · NaturalProductMech · PathwayMech · TraitMech