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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H25NO9
Molecular Weight 459.4459
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-ACETYL-2-DECARBAMOYLOXYTETRACYCLINE

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

InChI

InChIKey=CXSLZLZWQICHIJ-JSILLTCQSA-N
InChI=1S/C23H25NO9/c1-8(25)11-18(28)16(24(3)4)15-19(29)14-13(21(31)23(15,33)20(11)30)17(27)12-9(22(14,2)32)6-5-7-10(12)26/h5-7,14-16,19,26,28-29,31-33H,1-4H3/t14-,15-,16+,19+,22-,23-/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H25NO9
Molecular Weight 459.4459
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:54:30 GMT 2023
Edited
by admin
on Sat Dec 16 09:54:30 GMT 2023
Record UNII
NNV80I68DM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-ACETYL-2-DECARBAMOYLOXYTETRACYCLINE
Common Name English
2-ACETYL-2-DE(CARBAMOYLOXY)TETRACYCLINE
Common Name English
1,11(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-(DIMETHYLAMINO)-4A,5A,6,12A-TETRAHYDRO-3,5,6,10,12,12A-HEXAHYDROXY-6-METHYL-, (4S,4AR,5S,5AR,6S,12AS)-
Systematic Name English
(4S,4AR,5S,5AR,6S,12AS)-2-ACETYL-4-(DIMETHYLAMINO)-3,5,6,10,12,12A-HEXAHYDROXY-6-METHYL-4A,5A,6,12A-TETRAHYDROTETRACENE-1,11(4H,5H)-DIONE
Systematic Name English
OXYTETRACYCLINE HYDROCHLORIDE IMPURITY C [EP IMPURITY]
Common Name English
2-ACETYL-2-DE(CARBOXAMIDOOXY)TETRACYCLINE
Common Name English
OXYTETRACYCLINE DIHYDRATE IMPURITY C [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
7647-65-6
Created by admin on Sat Dec 16 09:54:30 GMT 2023 , Edited by admin on Sat Dec 16 09:54:30 GMT 2023
PRIMARY
PUBCHEM
76970888
Created by admin on Sat Dec 16 09:54:30 GMT 2023 , Edited by admin on Sat Dec 16 09:54:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID801101239
Created by admin on Sat Dec 16 09:54:30 GMT 2023 , Edited by admin on Sat Dec 16 09:54:30 GMT 2023
PRIMARY
FDA UNII
NNV80I68DM
Created by admin on Sat Dec 16 09:54:30 GMT 2023 , Edited by admin on Sat Dec 16 09:54:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
(eluting on the tail of the principal peak): not more than 4 times the area of the peak due to impurity A in the chromatogram obtained with reference solution (e)
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
PARENT -> IMPURITY
not more than 4 times the area of the peak due to impurity A in the chromatogram obtained with reference solution
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP