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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H25NO8
Molecular Weight 443.4465
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4S,4AS,5AS,6S,12AS)-2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11(4H,5H)-NAPHTHACENEDIONE

SMILES

[H][C@@]12C[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(C)=O)=C(O)[C@H]2N(C)C

InChI

InChIKey=ZPHAATWBCGBELI-OIVQWWNTSA-N
InChI=1S/C23H25NO8/c1-9(25)14-19(28)17(24(3)4)12-8-11-16(21(30)23(12,32)20(14)29)18(27)15-10(22(11,2)31)6-5-7-13(15)26/h5-7,11-12,17,26,28,30-32H,8H2,1-4H3/t11-,12-,17-,22+,23+/m0/s1

HIDE SMILES / InChI
Molecular Formula C23H25NO8
Molecular Weight 443.4465
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 08:53:30 UTC 2023
Edited
by admin
on Sat Dec 16 08:53:30 UTC 2023
Record UNII
KF6I0R5HOO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4S,4AS,5AS,6S,12AS)-2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11(4H,5H)-NAPHTHACENEDIONE
Systematic Name English
LYMECYCLINE IMPURITY B [EP IMPURITY]
Common Name English
1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-, (4S,4AS,5AS,6S,12AS)-
Systematic Name English
1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-
Systematic Name English
1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-
Systematic Name English
2-ACETYL-2-DECARBAMOYLTETRACYCLINE
Systematic Name English
2-ACETYL-2-DECARBOXAMIDOTETRACYCLINE
Systematic Name English
TETRACYCLINE IMPURITY B [EP IMPURITY]
Common Name English
TETRACYCLINE HYDROCHLORIDE IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60984034
Created by admin on Sat Dec 16 08:53:30 UTC 2023 , Edited by admin on Sat Dec 16 08:53:30 UTC 2023
PRIMARY
CAS
6542-44-5
Created by admin on Sat Dec 16 08:53:30 UTC 2023 , Edited by admin on Sat Dec 16 08:53:30 UTC 2023
PRIMARY
FDA UNII
KF6I0R5HOO
Created by admin on Sat Dec 16 08:53:30 UTC 2023 , Edited by admin on Sat Dec 16 08:53:30 UTC 2023
PRIMARY
PUBCHEM
3083967
Created by admin on Sat Dec 16 08:53:30 UTC 2023 , Edited by admin on Sat Dec 16 08:53:30 UTC 2023
PRIMARY
Related Record Type Details
Structure of TETRACYCLINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of LYMECYCLINE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
Structure of TETRACYCLINE HYDROCHLORIDE
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
NIH
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