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Methiocarb sulfoxide

HCID 17521
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
2635-10-1
표준 SMILES
CNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1
InChIKey
FNCMBMZOZQAWJA-UHFFFAOYSA-N
분자식
C11H15NO3S
평균 분자량
241.31 g/mol
단동위원소 질량
241.07726451

개요

Methiocarb-sulfoxide is a carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb. It has a role as a marine xenobiotic metabolite. It is a sulfoxide and a carbamate ester.

이름 및 식별자

우선 이름
Methiocarb sulfoxide
IUPAC
(3,5-dimethyl-4-methylsulfinylphenyl) N-methylcarbamate
영어명
Methiocarb sulfoxide
분자식
C11H15NO3S
분자량
241.31

이름 및 동의어

Methiocarb sulfoxide2635-10-1Mesurol sulfoxide3,5-Dimethyl-4-(methylsulfinyl)phenyl methylcarbamate4-methanesulfinyl-3,5-dimethylphenyl N-methylcarbamateS9303L7A4DPhenol, 3,5-dimethyl-4-(methylsulfinyl)-, methylcarbamateBAY-41791METHIOCARB SULPHOXIDECarbamic acid, methyl-, 3,5-dimethyl-4-(methylsulfinyl)phenyl esterBAY-37344 SULFOXIDEDTXSID8042139
이름 더 보기
bay41791ent25824bayer41791mesurolsulfoxidebay37344sulfoxideMethicarb-sulfoxideMethiocarb Sulfoxide-D3MERCAPTODIMETHUR SULFOXIDEMERCAPTODIMETHUR SULPHOXIDE
CARBAMIC ACID, METHYL-, 4-(METHYLSULFINYL)-3,5-XYLYL ESTERRefChem:811734DTXCID6022139methiocarb-sulfoxideBAY 37344 sulfoxideBayer 41791BAY 41791ENT 25824

데이터베이스 식별자

CAS
2635-10-1

물성

구조 계산 물성

XLogP
1.5
극성 표면적
74.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
16
형식 전하
0
복잡도
270

실험 및 물리화학적 성질

Pesticides · 3건

Pesticides -> Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

Pesticide (Methiocarb sulfoxide) -> USDA PDB

Ionization Efficiency · 6건

Positive

2.48

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section154.16 Ų [M+Na]+

물리화학적 성질

끓는 점
399 · 399.0±42.0 °C(Predicted)
밀도
1.25 · 1.25±0.1 g/cm3(Predicted)
저장 조건
0 · 0-6°C
용해도
클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
12.03 · 12.03±0.46(Predicted)
안정성
흡습성
주요 응용
농업환경
InChI
1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChIKey
FNCMBMZOZQAWJA-UHFFFAOYSA-N
SMILES
CNC(=O)Oc1cc(C)c(c(C)c1)S(C)=O

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.

Danger

H300 (92.9%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (92.9%)

독성 정보

Treatment · 1건

If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally.

Health Effects · 1건

Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Chronically high (>10 years) exposure leads to neuropsychological consequences including disturbances in perception and visuo-motor processing (A15321).

화학 및 산업

약리 정보

Metabolism/MetabolitesThe carbamates are hydrolyzed enzymatically by the liver; degradation products are excreted by the kidneys and the liver. (L793)

용도 및 제조

UsesMethiocarb sulfoxide is widely used as an insecticide or pesticide in homes, gardens and agricultural applications. It is a synthetic compound.
Use Classification · 3건

Transformation products

Pesticides -> Transformation products

Environmental transformation -> Pesticide transformation products (metabolite, successor)

공급사30 곳

艾吉析科技(上海)有限公司17717235263 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海稳同科技有限公司02151600108 13062666369 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]

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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
PubChem CID
17521
DTXSID
DTXSID8042139
ChEBI
CHEBI:83542
UNII
S9303L7A4D
EC Number
624-354-6
Nikkaji
J21.249K
EPA
Methiocarb sulfoxide (2635-10-1)
Exposure RoutesInhalation (L793) ; oral (L793); dermal (L793)
Toxicity Summary · 1건

Methiocarb sulfoxide is a cholinesterase or acetylcholinesterase (AChE) inhibitor. Carbamates form unstable complexes with chlolinesterases by carbamoylation of the active sites of the enzymes. This inhibition is reversible. A cholinesterase inhibitor suppresses the action of acetylcholine esterase. Because of its essential function, chemicals that interfere with the action of acetylcholine esterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop.

Signs and Symptoms · 1건

As with organophosphates, the signs and symptoms are based on excessive cholinergic stimulation. Unlike organophosphate poisoning, carbamate poisonings tend to be of shorter duration because the inhibition of nervous tissue acetylcholinesterase is reversible, and carbamates are more rapidly metabolized. Muscle weakness, dizziness, sweating and slight body discomfort are commonly reported early symptoms. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Contraction of the pupils with blurred vision, incoordination, muscle twitching and slurred speech have been reported. (L795)

Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).

안전 데이터

wgk
3
rtecs
FC5075000
ridadr
2757
risk_code
25-50/53
hazard_code
T,N
safety_code
45-60-61
포장분류
III
위험 등급
6.1(b)
Hazard Classifications
Acute Tox. 2 OralAquatic Acute 1
스토리지 클래스
6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
合肥合生生物科技有限公司0551-63802898 15395108618 · [email protected]
BOC Sciences16314854226 · [email protected]
南京罗迈美生物科技有限公司[email protected]
上海众巍化学有限公司18824865657 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
山东辉璟生物医药科技有限公司15192151674 · [email protected]
武汉研哲科技有限公司15527250409 · [email protected]
常州阿桑奇科技有限公司18961267976 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
南京枫景晴生物科技有限公司15062262630 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 · [email protected]

추가 설명

정의ChEBI: A carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb.