(4S,4aS,5aS,6S,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



Compound number:
MolPort-002-509-899
CAS number: 57-62-5
IUPAC:
(4S,4aS,5aS,6S,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 traditional:
chlortetracycline
SMILES:
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O)C(=O)c1c(O)ccc(Cl)c1[C@@]3(C)O |r,c:18,t:7|
InChI key:
CYDMQBQPVICBEU-XRNKAMNCSA-N
Molecular formula:
C22H23ClN2O8
Molecular weight: 478.88
Solubility: not available

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More Information

Compound Identifiers
Compound number: MolPort-002-509-899
CAS number: 57-62-5

Names, Synonyms and 3rd Party Identifiers
Name: MFCD00864876
(4S,4aS,5aS,6S,12aS)-7-chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide
Chlorotetracycline
Chlortetracycline

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
InChI key: CYDMQBQPVICBEU-XRNKAMNCSA-N

Calculated Properties
Molecular formula: C22H23ClN2O8
Molecular weight: 478.88

Other

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