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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H23ClN2O8
Molecular Weight 478.88
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ISOCHLORTETRACYCLINE, (1R)-

SMILES

[H][C@]1(CC(=O)[C@]2(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]2([H])C1)[C@@]3(C)OC(=O)C4=C(O)C=CC(Cl)=C34

InChI

InChIKey=GFSLIMZISCAANG-CUJCIORFSA-N
InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,28,32H,6-7H2,1-3H3,(H2,24,30)/t8-,9-,16-,21+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H23ClN2O8
Molecular Weight 478.88
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 05:43:08 GMT 2023
Edited
by admin
on Sat Dec 16 05:43:08 GMT 2023
Record UNII
D60759UL8R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISOCHLORTETRACYCLINE, (1R)-
Common Name English
6-((1R)-7-CHLORO-4-HYDROXY-1-METHYL-3-OXO-1,3-DIHYDRO-2-BENZOFURAN-1-YL)-4-(DIMETHYLAMINO)-3,8A-DIHYDROXY-1,8-DIOXO-1,4,4A,5,6,7,8,8A-OCTAHYDRONAPHTHALENE-2-CARBOXAMIDE, (4S,4AS,6S,8AS)-
Common Name English
2-NAPHTHALENECARBOXAMIDE, 6-((1R)-7-CHLORO-1,3-DIHYDRO-4-HYDROXY-1-METHYL-3-OXO-1-ISOBENZOFURANYL)-4-(DIMETHYLAMINO)-1,4,4A,5,6,7,8,8A-OCTAHYDRO-3,8A-DIHYDROXY-1,8-DIOXO-, (4S,4AS,6S,8AS)-
Common Name English
2-NAPHTHALENECARBOXAMIDE, 6-(7-CHLORO-1,3-DIHYDRO-4-HYDROXY-1-METHYL-3-OXO-1-ISOBENZOFURANYL)-4-(DIMETHYLAMINO)-1,4,4A,5,6,7,8,8A-OCTAHYDRO-3,8A-DIHYDROXY-1,8-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,6.BETA.(S*),8A.ALPHA.))-
Common Name English
CHLORTETRACYCLINE HYDROCHLORIDE IMPURITY G [EP IMPURITY]
Common Name English
Code System Code Type Description
CAS
769895-23-0
Created by admin on Sat Dec 16 05:43:08 GMT 2023 , Edited by admin on Sat Dec 16 05:43:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID60109871
Created by admin on Sat Dec 16 05:43:08 GMT 2023 , Edited by admin on Sat Dec 16 05:43:08 GMT 2023
PRIMARY
FDA UNII
D60759UL8R
Created by admin on Sat Dec 16 05:43:08 GMT 2023 , Edited by admin on Sat Dec 16 05:43:08 GMT 2023
PRIMARY
PUBCHEM
71587798
Created by admin on Sat Dec 16 05:43:08 GMT 2023 , Edited by admin on Sat Dec 16 05:43:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 1.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP