Molecular Identity
Carbosulfan
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-(dibutylamino)sulfanyl-N-methylcarbamate
PubChem CID: 41384
Carbosulfan is a carbamate ester and a member of 1-benzofurans. It has a role as an acaricide, a nematicide, an agrochemical, a carbamate insecticide and an EC 3.1.1.7 (acetylcholinesterase) inhibitor.
2D Structure
Properties
C20H32N2O3S
Molecular Formula
380.50
Molecular Weight
g/mol
380.2134
Exact Mass
Da
5.7
XLogP
Above Lipinski threshold
67.3
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
439
Complexity
SMILES
Canonical SMILES
SMILES: CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)CIsomeric SMILES
SMILES: CCCCN(CCCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)CSynonyms(20)
Carbosulfan55285-14-8MarshalPosseAdvantageMarshallCaswell No. 463CDibutylaminosulfenylcarbofuranFMC 35001DTXSID5023950V1DGN4AK6G2,3-Dihydro-2,2-dimethyl-7-benzofuranyl (di-n-butylaminosulfenyl)methylcarbamateDTXCID603950CHEBI:38476Carbamic acid, ((dibutylamino)thio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Carbosulfan
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