기본 정보
- CAS
51596-16-8- 표준 SMILES
CO[C@H]1C[C@@]2(O)/C(CO)=C/C=C/[C@H](C)C/C(C)=C/C[C@@H]3C[C@@H](C[C@]4(CC[C@H](C)[C@@H](C)O4)O3)OC(=O)[C@@H]2C=C1C- InChIKey
GVTIOOAINDAZRR-QKOZJOJASA-N- 분자식
- C32H48O7
- 평균 분자량
- 544.7 g/mol
- 단동위원소 질량
- 544.34000387
이름 및 식별자
- 우선 이름
- Milbemycin beta1
- IUPAC
- (1S,4R,5'S,6'R,7S,9S,10E,12E,14R,16E,19R,21R)-9-hydroxy-10-(hydroxymethyl)-7-methoxy-5',6,6',14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one
- 현지명
- 밀베마이신베타1
- 영어명
- milbemycin beta1
- 분자식
- C32H48O7
- 분자량
- 544.73
이름 및 동의어
Milbemycin beta151596-16-8112V7HX15QMilbemycin B, 25-methyl-, (25R)-Antibiotic B 41A1RefChem:158872(25R)-25-Methylmilbemycin BUNII-112V7HX15QMeilingmycin DMILBEMYCIN .BETA.1Milbemycin Oxime Impurity 13(+)-MILBEMYCIN .BETA.1
이름 더 보기
밀베마이신베타1Milbemycin β1Antibiotic B-41A125α-Methylmilbemycin BMilbemycin Impurity 42
MILBEMYCIN .BETA.1 [MI]25.ALPHA.-METHYLMILBEMYCIN B(1S,4R,5'S,6'R,7S,9S,10E,12E,14R,16E,19R,21R)-9-hydroxy-10-(hydroxymethyl)-7-methoxy-5',6,6',14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-oneQ27251215(2R,3'S,5S,6R,7'R,9'E,12'R,13'E,15'E,16a'S,18'S,20a'R)-16a'-hydroxy-16'-(hydroxymethyl)-18'-methoxy-5,6,10',12',19'-pentamethyl-3,3',4,4',5,6,7',8',11',12',16a',17',18',20a'-tetradecahydro-1'H-spiro[pyran-2,5'-[3,7]methanobenzo[g][1,5]dioxacyclooctadecin]-1'-one
데이터베이스 식별자
- CAS
51596-16-8- PubChem CID
- 9872127
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 94.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 1,010
물리화학적 성질
- 끓는 점
- 706.5 · 706.5±60.0 °C(Predicted)
- 밀도
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 12.5 · 12.50±0.70(Predicted)
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.
Substances used in the treatment or control of nematode infestations. They are used also in veterinary practice.
Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
공급사6 곳
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
湖北摩科生物科技有限公司18274848843 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
湖北摩科生物科技有限公司17320513646 · [email protected]
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