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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22N2O7
Molecular Weight 426.4193
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ANHYDROTETRACYCLINE

SMILES

[H][C@@]12CC3=C(C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C)C(O)=C4C(O)=CC=CC4=C3C

InChI

InChIKey=CXCVEERYMJZMMM-DOCRCCHOSA-N
InChI=1S/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)/t11-,16-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H22N2O7
Molecular Weight 426.4193
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:43:09 GMT 2023
Edited
by admin
on Sat Dec 16 05:43:09 GMT 2023
Record UNII
7284RM98Q5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ANHYDROTETRACYCLINE
Common Name English
(4S)-ANHYDROTETRACYCLINE
Common Name English
(4S,4AS,12AS)-4-(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,11,12A-HEXAHYDROTETRACENE-2-CARBOXAMIDE
Common Name English
TETRACYCLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
5A(6)-ANHYDROTETRACYCLINE
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, (4S,4AS,12AS)-
Common Name English
TETRACYCLINE HYDROCHLORIDE RELATED COMPOUND ANHYDROTETRACYCLINE [USP IMPURITY]
Common Name English
ANHYDROTETRACYCLINE [USP IMPURITY]
Common Name English
TETRACYCLINE, ANHYDRO-
Common Name English
CHLORTETRACYCLINE HYDROCHLORIDE IMPURITY J [EP IMPURITY]
Common Name English
LYMECYCLINE IMPURITY C [EP IMPURITY]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,12A.ALPHA.))-
Common Name English
TETRACYCLINE IMPURITY C [EP IMPURITY]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-
Systematic Name English
Code System Code Type Description
CAS
1665-56-1
Created by admin on Sat Dec 16 05:43:09 GMT 2023 , Edited by admin on Sat Dec 16 05:43:09 GMT 2023
PRIMARY
CHEBI
58032
Created by admin on Sat Dec 16 05:43:09 GMT 2023 , Edited by admin on Sat Dec 16 05:43:09 GMT 2023
PRIMARY
FDA UNII
7284RM98Q5
Created by admin on Sat Dec 16 05:43:09 GMT 2023 , Edited by admin on Sat Dec 16 05:43:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID201016171
Created by admin on Sat Dec 16 05:43:09 GMT 2023 , Edited by admin on Sat Dec 16 05:43:09 GMT 2023
PRIMARY
CHEBI
27902
Created by admin on Sat Dec 16 05:43:09 GMT 2023 , Edited by admin on Sat Dec 16 05:43:09 GMT 2023
PRIMARY
CHEBI
17146
Created by admin on Sat Dec 16 05:43:09 GMT 2023 , Edited by admin on Sat Dec 16 05:43:09 GMT 2023
PRIMARY
CAS
20154-34-1
Created by admin on Sat Dec 16 05:43:09 GMT 2023 , Edited by admin on Sat Dec 16 05:43:09 GMT 2023
ALTERNATIVE
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.3
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP