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ChEBI
> Main
CHEBI:81732 - benthiavalicarb-isopropyl
Main
ChEBI Ontology
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ChEBI Name
benthiavalicarb-isopropyl
ChEBI ID
CHEBI:81732
Definition
A carbamate ester that is the isopropyl ester of benthiavalicarb. It is used as an agricultural fungicide.
Stars
This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Molfile
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Molfile
Formula
C18H24FN3O3S
Net Charge
0
Average Mass
381.46500
Monoisotopic Mass
381.15224
InChI
InChI=1S/C18H24FN3O3S/c1-
9(2)
15(22-
18(24)
25-
10(3)
4)
16(23)
20-
11(5)
17-
21-
13-
7-
6-
12(19)
8-
14(13)
26-
17/h6-
11,15H,1-
5H3,(H,20,23)
(H,22,24)
/t11-
,15+/m1/s1
InChIKey
USRKFGIXLGKMKU-ABAIWWIYSA-N
SMILES
CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)c1nc2ccc(F)cc2s1
Roles Classification
Biological Role
(s):
antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via
benzothiazole fungicide
)
(via
carbamate fungicide
)
(via
valinamide fungicide
)
(via
amide fungicide
)
antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
(via
amide antifungal agent
)
Application
(s):
antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via
benzothiazole fungicide
)
(via
carbamate fungicide
)
(via
valinamide fungicide
)
(via
amide fungicide
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
benthiavalicarb-isopropyl (
CHEBI:81732
)
has functional parent
benthiavalicarb (
CHEBI:83601
)
benthiavalicarb-isopropyl (
CHEBI:81732
)
has role
antifungal agrochemical (
CHEBI:86328
)
benthiavalicarb-isopropyl (
CHEBI:81732
)
is a
benzothiazole fungicide (
CHEBI:87038
)
benthiavalicarb-isopropyl (
CHEBI:81732
)
is a
benzothiazoles (
CHEBI:37947
)
benthiavalicarb-isopropyl (
CHEBI:81732
)
is a
carbamate ester (
CHEBI:23003
)
benthiavalicarb-isopropyl (
CHEBI:81732
)
is a
carbamate fungicide (
CHEBI:87061
)
benthiavalicarb-isopropyl (
CHEBI:81732
)
is a
organofluorine compound (
CHEBI:37143
)
benthiavalicarb-isopropyl (
CHEBI:81732
)
is a
secondary carboxamide (
CHEBI:140325
)
benthiavalicarb-isopropyl (
CHEBI:81732
)
is a
valinamide fungicide (
CHEBI:87029
)
benthiavalicarb-isopropyl (
CHEBI:81732
)
is a
valine derivative (
CHEBI:27267
)
IUPAC Name
isopropyl [(2
S
)-
1-
{[(1
R
)-
1-
(6-
fluoro-
1,3-
benzothiazol-
2-
yl)ethyl]amino}-
3-
methyl-
1-
oxobutan-
2-
yl]carbamate
Synonyms
Sources
1-
methylethyl ((1
S
)-
1-
((((1
R
)-
1-
(6-
fluoro-
2-
benzothiazolyl)ethyl)amino)carbonyl)-
2-
methylpropyl)carbamate
ChemIDplus
benthiavalicarb isopropyl
ChemIDplus
isopropyl ((
S
)-
1-
{((1
R
)-
1-
(6-
fluoro-
1,3-
benzothiazol-
2-
yl)ethyl)carbamoyl}-
2-
methylpropyl)carbamate
ChemIDplus
Manual Xrefs
Databases
2172
PPDB
C18415
KEGG COMPOUND
derivatives/benthiavalicarb-isopropyl
Alan Wood's Pesticides
View more database links
Registry Numbers
Types
Sources
11343403
Reaxys Registry Number
Reaxys
177406-68-7
CAS Registry Number
ChemIDplus
Citation
Type
Source
24176337
PubMed citation
Europe PMC
Last Modified
07 March 2018