기본 정보
- CAS
205110-48-1- 표준 SMILES
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC/C=C/c2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@@]21C- InChIKey
PENDGIOBPJLVBT-HMMOOPTJSA-N- 분자식
- C42H59N3O10
- 평균 분자량
- 765.9 g/mol
- 단동위원소 질량
- 765.42004509
이름 및 식별자
- 우선 이름
- (1R,2R,4R,6S,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[(E)-3-(3-quinolyl)allyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone
- IUPAC
- (1S,2R,5R,7R,8R,9S,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-9-[(E)-3-quinolin-3-ylprop-2-enoxy]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone
- 현지명
- 세트로마이신
- 영어명
- CETHROMYCIN
- 분자식
- C42H59N3O10
- 분자량
- 765.93
이름 및 동의어
C12020SCHEMBL1650649(1R,2R,4R,6S,7R,8R,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-13-ethyl-2,4,6,8,10,14-hexamethyl-6-[(E)-3-(3-quinolyl)allyloxy]-12,15-dioxa-17-azabicyclo[12.3.0]heptadecane-3,9,11,16-tetrone(1S,2R,5R,7R,8R,9R,11R,13R,14R)-2-Ethyl-1,5,7,9,11,13-Hexamethyl-9-[3-(3-quinolyl)-2(E)-propenyloxy]-8-[3,4,6-trideoxy-3-(dimethylamino)-beta-D-glucopyranosyloxy]-3,17-dioxa-15-azabicyclo[12.3.0]hepta(1S,2R,5R,7R,8R,9S,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-1,5,7,9,11,13-hexamethyl-9-[(E)-3-quinolin-3-ylprop-2-enoxy]-3,17-dioxa-15-azabicyclo[12.3.0]heptadecane-4,6,12,16-tetrone세트로마이신ABT-773RestanzaA-195773CETHROMYCINAbbott-195773quinerythromycin
이름 더 보기
CETHROMYCIN(ABT-773)11-Amino-11-deoxy-3-oxo-5-o-desosaminyl-6-o-[1'-(3'-quinolyl-2'-propenyl)] erythronolide A 11,12-cyclic carbamate
물성
구조 계산 물성
- XLogP
- 5.4
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 55
- 형식 전하
- 0
- 복잡도
- 1,410
물리화학적 성질
- 녹는점
- 211 · 211-213°
- 끓는 점
- 927.1 · 927.1±65.0 °C(Predicted)
- 밀도
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 10.84 · 10.84±0.70(Predicted)
- 색상
- White to off-white
화학 및 산업
응용 분야
개요Cethromycin (formerly ABT-773) is a ketolide antibiotic originally developed by Abbott in the late 1990s, but abandoned in 2002. Since 2004, Advanced Life Sciences has promoted current development of cethromycin. The ketolides are structurally derived from erythromycin A and are designed to overcome resistance to macrolides. One of the main features is the lack of the neutral sugar L-cladinose at position 3 of the erythonolide ring, which is replaced by a keto group (thus giving rise to the class name). Lack of the L-cladinose moiety results in better drug absorption and less gastric irritation through improved acid stability.
용도Antibacterial.
공급사14 곳
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
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上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海波以尔化工有限公司021-50182298 021-50180596 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
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