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6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-({5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid--water (1/1)

HCID 636377
노트반응

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기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
364622-82-2
표준 SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)[C@H](C)[C@H]12.O
InChIKey
NTUBEBXBDGKBTJ-WGLOMNHJSA-N
분자식
C15H26N4O7S2
평균 분자량
438.528 g/mol
단동위원소 질량
438.12429117

이름 및 식별자

우선 이름
6-(1-Hydroxyethyl)-4-methyl-7-oxo-3-({5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid--water (1/1)
IUPAC
(4R,5S,6S)-6-[(1R)-1-Hydroxyethyl]-4-methyl-7-oxo-3-({(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl}sulfanyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid--water (1/1)
영어명
Doripenem hydrate
분자식
C15H26N4O7S2
분자량
438.51

이름 및 동의어

Finibax2H5]-DoripenemDoripeneM Crudedoripenem hydrateS 4661 monohydrateDoripene onohydrateDonipenan (monohydrate)Doripenem Hydrate (S 4661)Doripenem hydrate USP/EP/BPDoripenem monohydrate, >=99%

데이터베이스 식별자

CAS
364622-82-2
PubChem CID
636377
DTXSID
DTXSID60957788
ChEMBL
CHEMBL4303454
ChEBI
CHEBI:31518
UNII
4B035T6NKT
EC Number
680-392-3

물성

물리화학적 성질

녹는점
173 °C · 173°C(dec.)(lit.)
저장 조건
2 · 2-8°C
용해도
2 O: · H2O: 용해성5mg/mL, 투명(따뜻한)
물리적 상태
가루
색상
흰색에서 베이지색
수소이온지수(pH)
0.3 g · Dissolve 0.3g of Doripenem Hydrate in 30mL of water: the pH of the solution is between 4.5 and 6.0.
수용성
2 O: · H2O: 5mg/mL, clear (warmed)
BRN
15340136 · 15340136
InChIKey
NTUBEBXBDGKBTJ-WGLOMNHJSA-N
SMILES
C(C1=C([C@H](C)[C@]2([H])[C@@]([H])([C@H](O)C)C(=O)N12)S[C@@H]1CN[C@H](CNS(=O)(=O)N)C1)(=O)O.O |&1:3,5,7,9,16,19,r|
화학적 성질 · 1건

Doripenem Hydrate occurs as a white to pale yellow-brown-white crystalline powder. It is sparingly soluble in water, slightly soluble in methanol, and practically insoluble in ethanol (99.5). It is gradually colored to pale yellow-brown-white by light.

안전 및 규제

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

안전 데이터

wgk
3
HS 번호
2935.90.9500
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

개요Doripenem hydrate is a carbapenem derivative antibacterial agent that is more stable to renal dehydropeptidase I than IMIPENEM, but does not need to be given with an enzyme inhibitor such as CILASTATIN. It is used in the treatment of infections such as HOSPITAL-ACQUIRED PNEUMONIA, and complicated intra-abdominal or urinary-tract infections, including PYELONEPHRITIS.Doripenem hydrate was first approved by Pharmaceuticals and Medical Devices Agency of Japan (PMDA) on July 25, 2005, then approved by the U.S. Food and Drug Administration (FDA) on Oct 12, 2007, and approved by European Medicines Agency (EMA) on July 25, 2008. It was developed by Shionogi and Janssen, then marketed as Finibax® in Japan and as Doribax® in the US by Shionogi and as Doribax® by Janssen in BE.

용도Doripenem (doripenem monohydrate) is an ultra-broad spectrum injectable antibiotic. It is a beta-lactam and belongs to the subgroup of carbapenems. It is particularly active against Pseudomonas aeruginosa

상·하류 제품 정보

상류 원료

(4R,5S,6S)-3-[[(3S,5S)-5-[[(Aminosulfonyl)amino]methyl]-1-[[(4-nitrophenyl)methoxy]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester아연물제일인산칼륨테트라하이드로푸란

공급사100 곳

관련 반응

1건
반응 기록 만들기
HRID 2094649 반응식
HRID 2094649생성물로uspto-grants-2013_05

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