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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H22N2O8
Molecular Weight 430.408
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-EPIDEMETHYLTETRACYCLINE

SMILES

[H][C@]12C[C@@]3([H])[C@@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C4=C(O)C=CC=C4[C@H]2O

InChI

InChIKey=JCSGAUKCDAVARS-UUBIYHLESA-N
InChI=1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-25,27-28,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14+,15+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C21H22N2O8
Molecular Weight 430.408
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:43:06 GMT 2023
Edited
by admin
on Sat Dec 16 05:43:06 GMT 2023
Record UNII
B6EUU1IGGY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-EPIDEMETHYLTETRACYCLINE
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-, (4R,4AS,5AS,6S,12AS)-
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-, (4R-(4.ALPHA.,4A.BETA.,5A.BETA.,6.ALPHA.,12A.BETA.))-
Common Name English
(4R,4AS,5AS,6S,12AS)-4-(DIMETHYLAMINO)-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
Common Name English
CHLORTETRACYCLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
B6EUU1IGGY
Created by admin on Sat Dec 16 05:43:06 GMT 2023 , Edited by admin on Sat Dec 16 05:43:06 GMT 2023
PRIMARY
CAS
129044-45-7
Created by admin on Sat Dec 16 05:43:06 GMT 2023 , Edited by admin on Sat Dec 16 05:43:06 GMT 2023
PRIMARY
PUBCHEM
71587473
Created by admin on Sat Dec 16 05:43:06 GMT 2023 , Edited by admin on Sat Dec 16 05:43:06 GMT 2023
PRIMARY