CAS 119478-56-7 Meropenem Trihydrate (HCID 441129)

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 119478-56-7
표준 SMILES: C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CN[C@H](C(=O)N(C)C)C3)[C@H](C)[C@H]12.O.O.O
InChIKey: CTUAQTBUVLKNDJ-OBZXMJSBSA-N
분자식: C17H31N3O8S
평균 분자량: 437.5 g/mol
단동위원소 질량: 437.18318613

개요

Meropenem trihydrate is a hydrate. It has a role as an antibacterial drug. It contains a meropenem.

이름 및 식별자

우선 이름: Meropenem Trihydrate
IUPAC: (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;trihydrate
영어명: Meropenem Trihydrate
분자식: C17H27N3O6S
분자량: 401.48

이름 및 동의어

Meropenem trihydrate119478-56-7CHEBI:6770DTXSID10274179Meropenem Hydrate(6S)-2-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-6-[(1R)-1-hydroxyethyl]-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid--water (1:3)(6S)-2-(((3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)sulfanyl)-6-((1R)-1-hydroxyethyl)-1beta-methyl-2,3-didehydro-1-carbapenam-3-carboxylic acid--water (1:3)RefChem:1088998DTXCID201768837(4R,5S,6S)-3-((3S,5S)-5-(Dimethylcarbamoyl)pyrrolidin-3-ylsulfanyl)-6-((1R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo(3.2.0)hept-2-ene-2-carboxylic acid trihydrate642-885-1MFCD08600005

이름 더 보기

MeropenemMEROPENEM WITH SODIUM CARBONATEMeropenem (300 mg)MEROPENEMTRIHYDRATE(3-[[5-[(DIMETHYLAMINO)CARBONYL]-3-PYRROLIDINYL]THIO]-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO[3,2,0]HEPT-2-ENE-2-CARBOXYLICACIDTRIHYDRATE)Meropenem SanshuiSM 7338 trihydrateMeropenem 3-hydrateMeropenem Trihydrat

물성

구조 계산 물성

극성 표면적: 138 Å²
수소 결합 공여자 수: 6
수소 결합 수용자 수: 10
회전 가능 결합 수: 5
무거운 원자 수: 29
형식 전하: 0
복잡도: 679

물리화학적 성질

녹는점: 192 °C · >192°C (dec.)
끓는 점: 627 ℃ · 627℃
인화점: 110 ° · >110°(230°F)
저장 조건: -20 °C · -20°C
용해도: 5 mg/ml의 · 약 5mg/ml의 수용액에 용해됨
물리적 상태: 가루
색상: 흰색에서 황백색까지
Merck: 14 · 14,5900
주요 응용: 법의학 및 독성학의약품(소분자)
InChIKey: DMJNNHOOLUXYBV-PQTSNVLCSA-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](C(=O)N(C)C)C1)(=O)O.O |&1:3,5,7,9,16,19,r|

화학적 성질

White or slight-yellow crystalline powder LOD ≤0.5% Heavy Metals ≤20 ppm

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 3.4% (2 of 59) of reports.

Warning

H315 (93.2%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (93.2%)

안전 데이터

wgk: 3
HS 번호: 2941906000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Hazard Classifications: Resp. Sens. 1Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 2건

용도Meropenem trihydrate is a carbapenem antibiotic with wide spectrum of antibacterial. It is an ultra-broad spectrum beta-lactam antibiotic and has antibacterial activity against Gram-negative and Gram-positive bacteria as well as anaerobic microorganisms such as Pseudomonas aeruginosa, Escherichia coli, Klebsiella pneumoniae, Enterobacter species, Serratia marcescens, Streptococcus pyogenes, Streptococcus agalactiae and Citrobacter sp. Meropenem trihydrate is indicated for the treatment of serious bacterial infection including complicated skin infections, complicated intra-abdominal infections, urinary tract infections, severe pneumonia, broncho-pulmonary infections and bacterial meningitis.

일반 설명Meropenem trihydrate (MRP) belongs to the carbapenem group of compounds. It is susceptible to degradation at high temperature and humidity. It is soluble in methanol-water or acetone-water combinations. It is used as an antibacterial agent for treating meningitis and pneumonia.