(4S,4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide

• ChemBase编号: 158150
• 分子式: C22H23ClN2O8
• 平均质量: 478.87962
• 单一同位素质量: 478.11429339
• SMILES: CC1(c2c(ccc(c2C(=O)C2=C([C@]3([C@@H](C[C@H]12)[C@@H](C(=C(C3=O)C(=O)N)O)N(C)C)O)O)O)Cl)O
• Canonical SMILES: CN([C@@H]1C(=C(C(=O)N)C(=O)[C@@]2([C@H]1C[C@H]1C(=C2O)C(=O)c2c(C1(C)O)c(Cl)ccc2O)O)O)C
• InChI: InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15-,21?,22-/m0/s1
• InChIKey: CYDMQBQPVICBEU-BLJISXJUSA-N

名称和登记号

名称

• IUPAC标准名: (4S,4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide
• IUPAC传统名: (4S,4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
• 别名: 氯四环素; 金霉素; 氯四环素选择性添加剂; Chlorotetracycline; Chlortetracycline; Chlortetracycline Selective Supplement

登记号

• CAS号: 57-62-5
• EC号: 200-341-7
• MDL号: MFCD00864876
• PubChem SID: 162252286
• PubChem CID: 54737570

理论计算性质

• 极化表面积: 181.62 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false
• Acid pKa: -2.5133889
• 质子受体: 9
• 质子供体: 6
• LogD (pH = 5.5): -4.0490828
• LogD (pH = 7.4): -5.852484
• Log P: -2.951973
• 摩尔折射率: 118.9931 cm^3
• 极化性: 45.145546 Å^3

分子性质

安全信息

• RTECS编号: QI7750000
• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 1
• 危险公开号: 22
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: 2-8°C

产品相关信息

• 级别: for microbiology
• 有效期: (limited shelf life, expiry date on the label)
• Empirical Formula (Hill Notation): C22H23ClN2O8

详细说明

Sigma Aldrich - 17776

Components
组分（每瓶，足够用于 1000ml 培养基）氯四环素 50mg
Application
推荐用于选择性分离食品中纯绿青霉和相关菌种的抗生素添加剂。
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 17776.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.