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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24N2O9
Molecular Weight 460.434
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-EPIOXYTETRACYCLINE

SMILES

[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H]2N(C)C

InChI

InChIKey=IWVCMVBTMGNXQD-DVJPNYBFSA-N
InChI=1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31)/t12-,13-,14-,17+,21-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H24N2O9
Molecular Weight 460.434
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
Substance Class Chemical
Created
by admin
on Sat Dec 16 09:46:16 GMT 2023
Edited
by admin
on Sat Dec 16 09:46:16 GMT 2023
Record UNII
73VON8SRY5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-EPIOXYTETRACYCLINE
Common Name English
OXYTETRACYCLINE DIHYDRATE IMPURITY A [EP IMPURITY]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,6,10,12,12A-HEXAHYDROXY-6-METHYL-1,11-DIOXO-, (4R,4AR,5S,5AR,6S,12AS)-
Systematic Name English
OXYTETRACYCLINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
(4R,4AR,5S,5AR,6S,12AS)-4-(DIMETHYLAMINO)-3,5,6,10,12,12A-HEXAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
14206-58-7
Created by admin on Sat Dec 16 09:46:16 GMT 2023 , Edited by admin on Sat Dec 16 09:46:16 GMT 2023
PRIMARY
FDA UNII
73VON8SRY5
Created by admin on Sat Dec 16 09:46:16 GMT 2023 , Edited by admin on Sat Dec 16 09:46:16 GMT 2023
PRIMARY
EPA CompTox
DTXSID20873793
Created by admin on Sat Dec 16 09:46:16 GMT 2023 , Edited by admin on Sat Dec 16 09:46:16 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP