captan

CHEBI:34608 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

A dicarboximide that is 3a,4,7,7a-tetrahydrophthalimide in which the hydrogen attached to the nitrogen is replaced by a trichloromethyl group. A non-systemic fungicide introduced in the 1950s, it is widely used for the control of fungal diseases in fruits, vegetables, and ornamental crops. — 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.

CHEBI:24897 CHEBI:24897
CHEBI:33261 CHEBI:33261
CHEBI:36683 CHEBI:36683
CHEBI:87198 CHEBI:87198

Chemical structure

Computed structure properties
Molecular formula	C9H8Cl3NO2S
Charge	0
Average mass	300.594 Da
Monoisotopic mass	298.93413 Da
Source	ChEBI
InChIKey	LDVVMCZRFWMZSG-UHFFFAOYSA-N

SMILES

O=C1C2CC=CCC2C(=O)N1SC(Cl)(Cl)Cl

InChI

InChI=1S/C9H8Cl3NO2S/c10-9(11,12)16-13-7(14)5-3-1-2-4-6(5)8(13)15/h1-2,5-6H,3-4H2

Also called

Amercide (BRAND_NAME)— chebi
Bangton (BRAND_NAME)— chebi
Captab (BRAND_NAME)— chebi
Captadin (BRAND_NAME)— chebi
Captaf (BRAND_NAME)— chebi
Captanex (BRAND_NAME)— chebi
Captex (BRAND_NAME)— chebi
Hexacap (BRAND_NAME)— chebi
Kaptan (BRAND_NAME)— chebi
Malipur (BRAND_NAME)— chebi
Merpan (BRAND_NAME)— chebi
Neracid (BRAND_NAME)— chebi
Orthocide (BRAND_NAME)— chebi
Osocide (BRAND_NAME)— chebi
Vanicide (BRAND_NAME)— chebi
Venturin (BRAND_NAME)— chebi
Vondcaptan (BRAND_NAME)— chebi
Zenecal (BRAND_NAME)— chebi
2-[(trichloromethyl)sulfanyl]-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione (EXACT_SYNONYM)— chebi
1,2,3,6-tetrahydro-N-(trichloromethylthio)phthalimide (EXACT_SYNONYM)— chebi
3a,4,7,7a-Tetrahydro-2-((trichloromethyl)thio)-1H-isoindole-1,3(2H)-dione (EXACT_SYNONYM)— chebi
3a,4,7,7a-tetrahydro-N-(trichloromethanesulphenyl)phthalimide (EXACT_SYNONYM)— chebi
ENT 26,538 (EXACT_SYNONYM)— chebi
N-(trichloromethylmercapto)-Δ4-tetrahydrophthalimide (EXACT_SYNONYM)— chebi
N-[(trichloromethyl)thio]tetrahydrophthalimide (EXACT_SYNONYM)— chebi
N-trichloromethylmercapto-4-cyclohexene-1,2-dicarboximide (EXACT_SYNONYM)— chebi
N-trichloromethylthio-3a,4,7,7a-tetrahydrophthalimide (EXACT_SYNONYM)— chebi
N-trichloromethylthiocyclohex-4-ene-1,2-dicarboximide (EXACT_SYNONYM)— chebi
SR 406 (EXACT_SYNONYM)— chebi
SR406 (EXACT_SYNONYM)— chebi
captane (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

cas:133-06-2
kegg.compound:C14438
patent:US2553771
patent:US2653155
patent:US2713058
pesticides:captan
ppdb:114
wikipedia.en:Captan

Activity roles

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

CHEBI:24127 CHEBI:24127
CHEBI:35718 CHEBI:35718
CHEBI:86328 CHEBI:86328

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:34608`	captan	`antibioticmech:chebi-d32ad37f0b`	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

Provenance

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