U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24N2O8
Molecular Weight 444.4346
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-EPIDOXYCYCLINE

SMILES

[H][C@@]12[C@@H](C)C3=CC=CC(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@]4([H])[C@H]2O

InChI

InChIKey=JBIWCJUYHHGXTC-NLJUDYQYSA-N
InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15+,17-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
4-EPIDOXYCYCLINE
Common Name English
DOXYCYCLINE MONOHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-, (4R-(4.ALPHA.,4A.BETA.,5.BETA.,5A.BETA.,6.BETA.,12A.BETA.))-
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-, 4-EPIMER
Common Name English
DOXYCYCLINE HYCLATE IMPURITY C [EP IMPURITY]
Common Name English
4-EPIOXYTETRACYCLINE, 6-DEOXY-
Common Name English
(4R,4AR,5S,5AR,6R,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12APENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-, (4R,4AR,5S,5AR,6R,12AS)-
Common Name English
DOXYCYCLINE IMPURITY C
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID901316643
Created by admin on Sat Dec 16 05:27:25 GMT 2023 , Edited by admin on Sat Dec 16 05:27:25 GMT 2023
PRIMARY
CAS
6543-77-7
Created by admin on Sat Dec 16 05:27:25 GMT 2023 , Edited by admin on Sat Dec 16 05:27:25 GMT 2023
PRIMARY
FDA UNII
TR57F2W7Q6
Created by admin on Sat Dec 16 05:27:25 GMT 2023 , Edited by admin on Sat Dec 16 05:27:25 GMT 2023
PRIMARY