Adotc cpd（CAS号：6542-44-5）

土霉素杂质C

基本信息

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CAS号

6542-44-5

分子式

C23H25NO8

分子量

443.4 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酮类

精细化工产品染料和颜料有机染料

精细化工产品表面活性剂阴离子表面活性剂

基本物理性质

沸点

705.1°C at 760 mmHg

密度

1.56

闪点

380.2°C

折射率

1.706

SMILES

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CC(=O)C1=C(C2(C(CC3C(=C(C4=C(C3(C)O)C=CC=C4O)O)C2=O)C(C1=O)N(C)C)O)O

InChI

InChI=1S/C23H25NO8/c1-9(25)14-19(28)17(24(3)4)12-8-11-16(21(30)23(12,32)20(14)29)18(27)15-10(22(11,2)31)6-5-7-13(15)26/h5-7,11-12,17,26-27,29,31-32H,8H2,1-4H3/t11-,12-,17-,22+,23+/m0/s1

InChIKey

VCGJFFLJLRZIHG-OIVQWWNTSA-N

LogP

0.7326999999999999

拓扑极性表面积

155.6 Å²

氢键供体/受体

5 / 9

复杂度

967

同义词与引用数据

英文

DTXSID60984034
LYMECYCLINE IMPURITY B [EP IMPURITY]
Adotc cpd
1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-
(1S,4aR,11S,11aS,12aS)-3-acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-1,11a,12,12a-tetrahydrotetracene-2,5-dione
(4S,4aS,5aS,6S,12aS)-2-Acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4a,5,5a,6-tetrahydrotetracene-1,11(4H,12aH)-dione
(4S,4AS,5AS,6S,12AS)-2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11(4H,5H)-NAPHTHACENEDIONE
2-Acetyl-2-decarboxamidooxytetracycline
2-ACETYL-2-DECARBOXAMIDOTETRACYCLINE
1,11(4H,5H)-Naphthacenedione, 2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,6,10,12,12a-pentahydroxy-6-methyl-, (4S-(4alpha,4aalpha,5aalpha,6beta,12aalpha))-
TETRACYCLINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-, (4S,4AS,5AS,6S,12AS)-
1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-
KF6I0R5HOO
3-Acetyl-1-(dimethylamino)-4,4a,6,7,11-pentahydroxy-11-methyl-11,11a,12,12a-tetrahydrotetracene-2,5(1H,4aH)-dione
SCHEMBL13320430
TETRACYCLINE IMPURITY B [EP IMPURITY]
6542-44-5
UNII-KF6I0R5HOO
2-ACETYL-2-DECARBAMOYLTETRACYCLINE
1,11(4H,5H)-Naphthacenedione,2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,6,10,12,12a-pentahydroxy-6-methyl-,(4S,4aS,5aS,6S,12aS)-
1,11(4H,5H)-Naphthacenedione,2-acetyl-4-(dimethylamino)-4a,5a,6,12a-tetrahydro-3,6,10,12,12a-pentahydroxy-6-methyl-,(4S,4aS,5
2-Acetyl-2-decarboxaMidotetracycline (IMpurity)
2-Acetyl-2-decarboxamidotetracycline (Impurity) Discontinued
Oxytetracycline Impurity C