Cefteram Pivoxil

HCID 5362114

기본 정보

CAS: 82547-81-7
표준 SMILES: CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(Cn3nnc(C)n3)CS[C@H]12)c1csc(N)n1
InChIKey: UIYAXIPXULMHAI-JLGRZTKVSA-N
분자식: C22H27N9O7S2
평균 분자량: 593.6 g/mol
단동위원소 질량: 593.1474862

개요

Cefteram pivoxil is a pivaloyloxymethyl ester, a member of tetrazoles, a member of cephams, an oxime O-ether and a member of 1,3-thiazoles.

이름 및 식별자

우선 이름: Cefteram Pivoxil
IUPAC: 2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
영어명: Cefteram pivoxil
분자식: C22H27N9O7S2
분자량: 593.64

이름 및 동의어

cefteram pivoxil82547-81-7TomironAntibiotic T 2588Cefteram pivaloyloxymethyl esterT-2588T 25880OD86RT58CRo 19-5248Ro-19-5248DTXSID401316612RefChem:918193

이름 더 보기

Tomiron 100CEFTERAMPIVOXYLCefteram neopentyl esterCefteramPivoxilCefteramPivoxil

DTXCID1017464502,2-Dimethylpropanoyloxymethyl (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2(-methoxyimino)acetylamino)-3-(5-methyl-2H-tetrazol-2-ylmethyl)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylate5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-(((2-amino-4-thiazolyl)(methoxyimino)acetyl)amino)-3-((5-methyl-2H-tetrazol-2-yl)methyl)-8-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, (6R-(6alpha,7beta(Z)))-Cefterampivoxil2,2-dimethylpropanoyloxymethyl (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(5-methyltetrazol-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylateC22H27N9O7S2Tomiron (TN)UNII-0OD86RT58C

데이터베이스 식별자

CAS: 82547-81-7
PubChem CID: 5362114
DTXSID: DTXSID401316612
ChEMBL: CHEMBL3137676
ChEBI: CHEBI:31381
UNII: 0OD86RT58C
Nikkaji: J23.684E

물성

구조 계산 물성

XLogP: 3.1
극성 표면적: 260 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 15
회전 가능 결합 수: 12
무거운 원자 수: 40
형식 전하: 0
복잡도: 1,100

물리화학적 성질

녹는점: 125 · 125-128°C
밀도: 1.3216 · 1.3216 (rough estimate)
굴절률: 1.74 · 1.7400 (estimate)
저장 조건: -20 °C · Hygroscopic, -20°C Freezer, Under Inert Atmosphere
용해도: 0.01 mg/mL · DMSO: 0.01 mg/mL (0.02 mM);
물리적 상태: 고체
산도 계수 (pKa): 8.08 · 8.08±0.60(Predicted)
색상: 흰색에서 연한 노란색
수용성: Water: Insoluble
InChIKey: UIYAXIPXULMHAI-JLGRZTKVSA-N
SMILES: N12[C@@]([H])([C@H](NC(/C(/C3=CSC(N)=N3)=N\OC)=O)C1=O)SCC(CN1N=NC(C)=N1)=C2C(OCOC(=O)C(C)(C)C)=O

화학적 성질

Off-White to Pale Yellow Solid

안전 및 규제

안전 데이터

독성: LD50 in male, female mice, rats (g/kg): >6.00, 5.86, 5.63, 5.09 i.p.; in both species >6.00 s.c.; in male mice, rats, dogs (g/kg): >6.00, >6.00, >2.00 orally (Sato)

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationSubstances that inhibit the growth or reproduction of BACTERIA.

응용 분야

용도Third generation, orally active cephalosporin antibiotic. Antibacterial.

상·하류 제품 정보

상류 원료

공급사55 곳

济南百隆化学有限公司[email protected] · [email protected]

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咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

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