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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 6-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-IPJAVASBSA-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+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24N2O8
Molecular Weight 444.4346
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 04:59:28 UTC 2023
Edited
by admin
on Sat Dec 16 04:59:28 UTC 2023
Record UNII
YK3J80P304
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-EPIDOXYCYCLINE
Common Name English
EPI-DOXYCYCLINE
Common Name English
6-EPIOXYTETRACYCLINE, 6-DEOXY-
Common Name English
.BETA.-6-DEOXY-5-HYDROXYTETRACYCLINE
Common Name English
(4S,4AR,5S,5AR,6S,12AS)-4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
Common Name English
DOXYCYCLINE RELATED COMPOUND A
USP-RS  
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-, (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-
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-, (4S,4AR,5S,5AR,6S,12AS)-
Common Name English
DOXYCYCLINE RELATED COMPOUND A [USP-RS]
Common Name English
6-EPI-OXYTETRACYCLINE, 6-DEOXY-
Common Name English
DOXYCYCLINE IMPURITY A
Common Name English
DOXYCYCLINE HYCLATE IMPURITY A [EP IMPURITY]
Common Name English
DOXYCYCLINE MONOHYDRATE IMPURITY A [EP IMPURITY]
Common Name English
6-EPI-DOXYCYCLINE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID401316717
Created by admin on Sat Dec 16 04:59:28 UTC 2023 , Edited by admin on Sat Dec 16 04:59:28 UTC 2023
PRIMARY
CAS
3219-99-6
Created by admin on Sat Dec 16 04:59:28 UTC 2023 , Edited by admin on Sat Dec 16 04:59:28 UTC 2023
PRIMARY
RS_ITEM_NUM
1226014
Created by admin on Sat Dec 16 04:59:28 UTC 2023 , Edited by admin on Sat Dec 16 04:59:28 UTC 2023
PRIMARY
FDA UNII
YK3J80P304
Created by admin on Sat Dec 16 04:59:28 UTC 2023 , Edited by admin on Sat Dec 16 04:59:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP