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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H21NO7.ClH
Molecular Weight 447.866
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CETOCYCLINE HYDROCHLORIDE

SMILES

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

InChI

InChIKey=BXIBTMOWCBKWEX-JKPGXYSKSA-N
InChI=1S/C22H21NO7.ClH/c1-7-4-5-10-8(2)11-6-12-16(23)19(27)13(9(3)24)20(28)22(12,30)21(29)15(11)18(26)14(10)17(7)25;/h4-5,12,16,25-27,30H,6,23H2,1-3H3;1H/t12-,16+,22+;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CETOCYCLINE HYDROCHLORIDE
USAN  
USAN  
Official Name English
CHELOCARDIN MONOHYDROCHLORIDE
Common Name English
CETOCYCLINE HYDROCHLORIDE [USAN]
Common Name English
ABBOTT-40728
Code English
CETOTETRINE HYDROCHLORIDE
Common Name English
.BETA.-CHELOCARDIN HYDROCHLORIDE
Common Name English
CHELOCARDIN HYDROCHLORIDE
Common Name English
1,12(4H,5H)-NAPHTHACENEDIONE, 2-ACETYL-4-AMINO-4A,12A-DIHYDRO-3,10,11,12A-TETRAHYDROXY-6,9-DIMETHYL-, HYDROCHLORIDE, (4R-(4A,4A.BETA.,12A.BETA.))-
Systematic Name English
(4R,4aS,12aS)-2-Acetyl-4-amino-4a,12a-dihydro-3,10,11,12a-tetrahydroxy-6,9-dimethyl-1,12-(4H,5H)-naphthacenedione hydrochloride
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1595
Created by admin on Fri Dec 15 15:05:38 UTC 2023 , Edited by admin on Fri Dec 15 15:05:38 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C98041
Created by admin on Fri Dec 15 15:05:38 UTC 2023 , Edited by admin on Fri Dec 15 15:05:38 UTC 2023
PRIMARY
CAS
56433-46-6
Created by admin on Fri Dec 15 15:05:38 UTC 2023 , Edited by admin on Fri Dec 15 15:05:38 UTC 2023
PRIMARY
ChEMBL
CHEMBL2110884
Created by admin on Fri Dec 15 15:05:38 UTC 2023 , Edited by admin on Fri Dec 15 15:05:38 UTC 2023
PRIMARY
FDA UNII
535KJI966J
Created by admin on Fri Dec 15 15:05:38 UTC 2023 , Edited by admin on Fri Dec 15 15:05:38 UTC 2023
PRIMARY