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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 4-EPICHLORTETRACYCLINE

SMILES

[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC(Cl)=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=CYDMQBQPVICBEU-XRZQSNOTSA-N
InChI=1S/C22H23ClN2O8/c1-21(32)7-6-8-15(25(2)3)17(28)13(20(24)31)19(30)22(8,33)18(29)11(7)16(27)12-10(26)5-4-9(23)14(12)21/h4-5,7-8,15,26,28-29,32-33H,6H2,1-3H3,(H2,24,31)/t7-,8-,15+,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 05:00:39 GMT 2023
Edited
by admin
on Sat Dec 16 05:00:39 GMT 2023
Record UNII
35ZT5OEQ74
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-EPICHLORTETRACYCLINE
Common Name English
QUATRIMYCIN, CHLORO-
Common Name English
CHLORTETRACYCLINE HYDROCHLORIDE IMPURITY A [EP IMPURITY]
Common Name English
4-EPI-CHLORTETRACYCLINE
Common Name English
2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-, (4R-(4.ALPHA.,4A.BETA.,5A.BETA.,6.ALPHA.,12A.BETA.))-
Common Name English
2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-, (4R,4AS,5AS,6S,12AS)-
Common Name English
EPICHLORTETRACYCLINE
Common Name English
2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-, 4-EPIMER
Common Name English
Code System Code Type Description
PUBCHEM
54678407
Created by admin on Sat Dec 16 05:00:39 GMT 2023 , Edited by admin on Sat Dec 16 05:00:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID60873792
Created by admin on Sat Dec 16 05:00:39 GMT 2023 , Edited by admin on Sat Dec 16 05:00:39 GMT 2023
PRIMARY
CAS
14297-93-9
Created by admin on Sat Dec 16 05:00:39 GMT 2023 , Edited by admin on Sat Dec 16 05:00:39 GMT 2023
PRIMARY
FDA UNII
35ZT5OEQ74
Created by admin on Sat Dec 16 05:00:39 GMT 2023 , Edited by admin on Sat Dec 16 05:00:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP