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6-[(1-Hydroxy-2-phenoxyethylidene)amino]-3,3-dimethyl-4,7-dioxo-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

HCID 107602
노트반응

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기본 정보이름 및 식별자물성화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
33069-20-4
표준 SMILES
CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2S1=O
InChIKey
DNPOVSLJNLLGMA-SJUANORRSA-N
분자식
C16H18N2O6S
평균 분자량
366.395 g/mol
단동위원소 질량
366.0885573

이름 및 식별자

우선 이름
6-[(1-Hydroxy-2-phenoxyethylidene)amino]-3,3-dimethyl-4,7-dioxo-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
IUPAC
(2S,5R,6R)-6-[(1-Hydroxy-2-phenoxyethylidene)amino]-3,3-dimethyl-4,7-dioxo-4lambda~4~-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
영어명
[2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide
분자식
C16H18N2O6S
분자량
366.38892

이름 및 동의어

penicillin V sulfoxide[2S-(2α,5α,6β)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide(2S,5S,6R)-3,3-Dimethyl-7-oxo-6α-[(phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2β-carboxylic acid-4-oxide(2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[2-(phenoxy)ethanoylamino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid(2S,5R,6R)-3,3-dimethyl-4,7-dioxo-6-[[2-(phenoxy)acetyl]amino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-, 4-oxide, (2S,5R,6R)-(2S,5R,6R)-4,7-diketo-3,3-dimethyl-6-[[2-(phenoxy)acetyl]amino]-4$l^{4}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid[2S-(2alpha,5alpha,6beta)]-3,3-dimethyl-7-oxo-6-(phenoxyacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide

데이터베이스 식별자

CAS
33069-20-4、33069-21-5、4888-90-8

물성

물리화학적 성질

녹는점
167 · 167-168 °C (decomp)
끓는 점
780.2 · 780.2±60.0 °C(Predicted)
밀도
1.54 · 1.54±0.1 g/cm3(Predicted)
산도 계수 (pKa)
2.61 · 2.61±0.60(Predicted)

화학 및 산업

상·하류 제품 정보

상류 원료

4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-, phenylmethyl ester, (2S,5R,6R)-설폭사이드벤질에스테르페녹시메틸렌실린산

공급사2 곳

陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

관련 반응

1건
반응 기록 만들기
HRID 1736270 반응식
HRID 1736270생성물로uspto-grants-1996_07

화합물 노트

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이 페이지에서기본 정보이름 및 식별자물성화학 및 산업관련 반응화합물 노트
PubChem CID
107602
DTXSID
DTXSID20964130
EC Number
225-507-6
Nikkaji
J724.646C