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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H25ClN2O9
Molecular Weight 508.906
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLOMOCYCLINE

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

InChI

InChIKey=GJGDLRSSCNAKGL-KMVLDZISSA-N
InChI=1S/C23H25ClN2O9/c1-22(34)8-6-9-16(26(2)3)18(30)14(21(33)25-7-27)20(32)23(9,35)19(31)12(8)17(29)13-11(28)5-4-10(24)15(13)22/h4-5,8-9,16,27-28,30-31,34-35H,6-7H2,1-3H3,(H,25,33)/t8-,9-,16-,22-,23-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H25ClN2O9
Molecular Weight 508.906
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 Fri Dec 15 16:12:40 UTC 2023
Edited
by admin
on Fri Dec 15 16:12:40 UTC 2023
Record UNII
YP0241BU76
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLOMOCYCLINE
INN   MI   WHO-DD  
INN  
Official Name English
7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-N-(HYDROXYMETHYL)-6-METHYL-1,11-DIOXO-2-NAPHTHACENECARBOXAMIDE
Common Name English
Clomocycline [WHO-DD]
Common Name English
clomocycline [INN]
Common Name English
CLOMOCYCLINE [MI]
Common Name English
Classification Tree Code System Code
WHO-ATC J01AA11
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
NCI_THESAURUS C1595
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
WHO-VATC QJ01AA11
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID80905089
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
SMS_ID
100000084527
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
CHEBI
59589
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
WIKIPEDIA
CLOMOCYCLINE
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
MESH
C007090
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
INN
2151
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
CAS
1181-54-0
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL2106071
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
FDA UNII
YP0241BU76
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
EVMPD
SUB06726MIG
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
MERCK INDEX
m1081
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY Merck Index
DRUG BANK
DB00453
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
DRUG CENTRAL
702
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
RXCUI
21272
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C76236
Created by admin on Fri Dec 15 16:12:40 UTC 2023 , Edited by admin on Fri Dec 15 16:12:40 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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