1-Azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-, (4-nitrophenyl)methyl ester, (4R,5R,6S)-

HCID 9885302CAS 104873-15-6

기본 정보

표준 SMILES
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)[C@H](C)[C@H]12
InChIKey
GUGYCHHWTVUBLV-MSECNUKYSA-N
분자식
C17H18N2O7
평균 분자량
362.3 g/mol
단동위원소 질량
362.11140092

이름 및 식별자

우선 이름
1-Azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-, (4-nitrophenyl)methyl ester, (4R,5R,6S)-
IUPAC
(4-nitrophenyl)methyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
영어명
(4R,5R,6S)-4-nitrobenzyl 6-((R)-1-hydroxyethyl)-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
분자식
C17H18N2O7
분자량
362.33

이름 및 동의어

104873-15-61-Azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-, (4-nitrophenyl)methyl ester, (4R,5R,6S)-Meropenem Impurity 4Meropenem Cyclic ImpuritySCHEMBL2062622GUGYCHHWTVUBLV-MSECNUKYSA-N827SJF9H85(4-nitrophenyl)methyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate4-Nitrobenzyl (1R,5R,6S)-6-[(1R)-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylatep-nitrobenzyl (1R,5R,6S)-6-[1(R)-hydroxyethyl]-1-methyl-2-oxocarbapenam-3-carboxylate(1R, 5R, 6S)-6-[(1R)-1-Hydroxyethyl]-1-methyl-2- oxocarbapenam-3-carboxylic acid 4-nitrobenzyl ester(1R, 5R, 6S)-6-[(1R)-1-hydroxyethyl]-1-methyl-2-oxo-carbapenam-3-carboxylic acid 4-nitrobenzyl ester
이름 더 보기
Meropenem - cyclooxygenate(4R,5R,6S)-4-nitrobenzyl 6-((R)-1-hydroxyethyl)-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate
(1R, 5R, 6S)-6-[(1R)-1-Hydroxyethyl]-1-methyl-2-oxocarbapenam-3-carboxylic acid 4-nitrobenzyl ester4-nitro-benzyl (1R,5R,6S)-6-[(1R)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate4-nitrobenzyl (1R, 5R, 6S)-6-[(1R)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate4-nitrobenzyl (1R, 5R, 6S)-6[(1R)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate4-nitrobenzyl (1R,5R,6S)-6-[(1R)-1-hydroxyethyl]-1-methyl-2-oxo-1-carbapenam-3-carboxylate4-nitrobenzyl (4R, 5R, 6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3, 7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate4-nitrobenzyl (4R,5R,6S)-6-((R)-1-hydroxyethyl)-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]heptane-2-carboxylate4-nitrobenzyl (4R,5R,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-3,7-dioxo-1-azabicyclo[3.2.0]-heptane-2-carboxylate

데이터베이스 식별자

CAS
104873-15-6
PubChem CID
9885302
UNII
827SJF9H85
Nikkaji
J1.339.430J

물성

구조 계산 물성

XLogP
1.4
극성 표면적
130 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
7
회전 가능 결합 수
5
무거운 원자 수
26

물리화학적 성질

끓는 점
596.568 · 596.568±50.00 °C(Press: 760.00 Torr)(predicted)
밀도
1.461 · 1.461±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
산도 계수 (pKa)
11.3 · 11.300±0.60(predicted)

화학 및 산업

공급사13 곳

上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
坛墨质检科技股份有限公司19850211281 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]

관련 반응

46건

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