기본 정보
- CAS
1321-14-8- 표준 SMILES
COc1cc(S(=O)(=O)O)ccc1O- InChIKey
QDRCGSIKAHSALR-UHFFFAOYSA-N- 분자식
- C7H8O5S
- 평균 분자량
- 204.2 g/mol
- 단동위원소 질량
- 204.00924453
개요
4-hydroxy-3-methoxybenzene-1-sulfonic acid is an arenesulfonic acid that is guaiacol sulfated at position 4. Commonly used (in the form of its potassium salt) as an expectorant. It has a role as an expectorant. It is a member of guaiacols and an arenesulfonic acid. It is functionally related to a guaiacol. It is a conjugate acid of a 4-hydroxy-3-methoxybenzene-1-sulfonate.
이름 및 식별자
- 우선 이름
- Sulfogaiacol
- IUPAC
- 4-hydroxy-3-methoxybenzenesulfonic acid
- 영어명
- Potassium guaiacolsulfonate
- 분자식
- C7H8O5S
- 분자량
- 204.2
이름 및 동의어
4-hydroxy-3-methoxybenzenesulfonic acid7134-11-4SulfogaiacolGuaiacolsulfonic acidSulfogaiacol [INN]4-guaiacolsulfonic acidBenzenesulfonic acid, 4-hydroxy-3-methoxy-6L00O0WHZRSULFOGAIACOL [WHO-DD]DTXSID80991669EINECS 230-434-8Sulfogaiacol (INN)
이름 더 보기
4-hydroxy-3-methoxybenzene-1-sulfonicaciGUAIACOLSULFONIC ACID POTASSIUM SALT HEMIHYDRATEGuaiacolsulfonic Acid Potassium Salt 4-Hydroxy-3-methoxybenzenesulfonic Acid Potassium Salt Potassium 4-Hydroxy-3-methoxybenzenesulfonatePotassium guiacolsulfateQ: What is Potassium guiacolsulfate Q: What is the CAS Number of Potassium guiacolsulfate Q: What is the storage condition of Potassium guiacolsulfate
sulfoguaiacoloRefChem:889576DTXCID601018155EINECS 256-807-5Guaiacolsulfonate4-hydroxy-3-methoxybenzene-1-sulfonic acid4-Hydroxy-3-methoxybenzenesulphonic acidGuajacol-5-sulfosaure
데이터베이스 식별자
- CAS
1321-14-8、50855-43-1、7134-11-4- PubChem CID
- 4874
- DTXSID
DTXSID80991669- ChEMBL
CHEMBL2110990- ChEBI
CHEBI:85537- UNII
- 6L00O0WHZR
- EC Number
- 215-314-5、230-434-8
- Nikkaji
- J227.235K
물성
구조 계산 물성
- XLogP
- -0.4
- 극성 표면적
- 92.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 255
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 15 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- safety_code
- 22-24/25
화학 및 산업
약리 정보
ATC Code
R - Respiratory system
QR - Respiratory system
응용 분야
용도4-Hydroxy-3-methoxybenzenesulfonic Acid has been shown to have antitumor activity mice and rats inoculated with leukemia, adenocarcinoma, carcinosarcoma, and ovarian carcinoma cells.
공급사9 곳
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
추가 설명
정의ChEBI: An arenesulfonic acid that is guaiacol sulfated at position 4. Commonly used (in the form of its potassium salt) as an expectorant.
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