(4R,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno(2,3-b)thiopyran-4-ol
기본 정보
- CAS
147128-77-6- 표준 SMILES
C[C@H]1C[C@@H](O)c2ccsc2S1(=O)=O- InChIKey
NFUQUGUUAUVBMO-CAHLUQPWSA-N- 분자식
- C8H10O3S2
- 평균 분자량
- 218.3 g/mol
- 단동위원소 질량
- 218.00713618
이름 및 식별자
- 우선 이름
- (4R,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno(2,3-b)thiopyran-4-ol
- IUPAC
- (4R,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
- 영어명
- (4S,6S)-4H-Thieno[2,3-b]-thiopyran-4-ol-5,6-dihydro-6-methyl-7,7-dioxide
- 분자식
- C8H10O3S2
- 분자량
- 218.29
이름 및 동의어
(4R,6S)-6-Methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol4H-Thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4R,6S)-(4R,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno(2,3-b)thiopyran-4-ol4H-Thieno(2,3-b)thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4R,6S)-RefChem:403349604-572-8147128-77-6MFCD11035925(4R,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxideDorzolamide Impurity 28162490-44-0(4R,6S)-4-Hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide
이름 더 보기
Dorzolamide N-2Tizanidine Impurity 14Dorzolamide Impurity 17(4R,6S)-5,6-Dihydro-4-hydroxy-6-Methyl thieno2,3-b(4S,6S)-4H-Thieno[2,3-b]-thiopyran-4-ol-5,6-dihydro-6-methyl...
cis-4-Hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxide(2S,4R)-4-hydroxy-2-methyl-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-1,1-dioneNFUQUGUUAUVBMO-CAHLUQPWSA-NDorzolamide Impurity 2starbld00196696PA5ZSD6CWSCHEMBL3303040(4R,6R)-6-Methyl-5,6-dihydro-4H-thieno-[2,3-b]thiopyran-4-ol 7,7-dioxide
데이터베이스 식별자
- CAS
147128-77-6- PubChem CID
- 10353338
- DTXSID
DTXSID001140774- UNII
- 6PA5ZSD6CW
- EC Number
- 604-572-8
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 91 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 293
물리화학적 성질
- 녹는점
- 154 · 154-155 °C
- 끓는 점
- 433.3 · 433.3±45.0 °C(Predicted)
- 밀도
- 1.462 · 1.462
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), DMSO, 에틸아세테이트
- 산도 계수 (pKa)
- 13.06 · 13.06±0.40(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- InChI
- InChI=1S/C8H10O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3/t5-,7+/m0/s1
- InChIKey
- NFUQUGUUAUVBMO-CAHLUQPWSA-N
- SMILES
- C12SC=CC=1[C@H](O)C[C@H](C)S2(=O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 06-09-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26766
Hazard Classes and CategoriesNot Classified
안전 데이터
- HS 번호
- 2934999090
화학 및 산업
응용 분야
용도(4R,6S)-4H-Thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-,7,7-dioxide is an analog of topically-active carbonic anhydrase inhibitor MK-507 also commonly known as Dorzolamide (D535100).
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