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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21ClN2O8.ClH
Molecular Weight 501.314
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEMECLOCYCLINE HYDROCHLORIDE

SMILES

Cl.[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C1C(=O)C4=C(O)C=CC(Cl)=C4[C@H]2O

InChI

InChIKey=GVSJQNRGSCOSNJ-KBHRXELFSA-N
InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1

HIDE SMILES / InChI
Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C21H21ClN2O8
Molecular Weight 464.853
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:06:51 UTC 2023
Edited
by admin
on Fri Dec 15 15:06:51 UTC 2023
Record UNII
29O079NTYT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEMECLOCYCLINE HYDROCHLORIDE
EP   MART.   MI   ORANGE BOOK   USP   USP-RS   VANDF   WHO-DD  
Common Name English
DEMECLOCYCLINE HCL
Common Name English
DEMETHYLCHLORTETRACYCLINE HYDROCHLORIDE [JAN]
Common Name English
DEMECLOCYCLINE HYDROCHLORIDE [MART.]
Common Name English
Demeclocycline hydrochloride [WHO-DD]
Common Name English
DECLOSTATIN
Brand Name English
NSC-756708
Code English
LEDERMYCIN
Brand Name English
DEMECLOCYCLINE HYDROCHLORIDE [USP MONOGRAPH]
Common Name English
7-Chloro-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride
Common Name English
DEMECLOCYCLINE HYDROCHLORIDE [EP MONOGRAPH]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 7-CHLORO-4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,6,10,12,12A-PENTAHYDROXY-1,11-DIOXO-, MONOHYDROCHLORIDE, (4S-(4.ALPHA.,4A.ALPHA.,5A.ALPHA.,6.BETA.,12A.ALPHA.))-
Common Name English
DEMECLOCYCLINE HYDROCHLORIDE [VANDF]
Common Name English
DEMECLOCYCLINE HYDROCHLORIDE [ORANGE BOOK]
Common Name English
DEMECLOCYCLINE HYDROCHLORIDE [MI]
Common Name English
DECLOMYCIN
Brand Name English
DEMETHYLCHLORTETRACYCLINE HYDROCHLORIDE
Common Name English
DEMECLOCYCLINE HYDROCHLORIDE [USP-RS]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1595
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
Code System Code Type Description
DAILYMED
29O079NTYT
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID0045252
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
EVMPD
SUB01578MIG
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
NCI_THESAURUS
C28975
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
ChEMBL
CHEMBL1591
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
RXCUI
81993
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY RxNorm
RS_ITEM_NUM
1170000
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
MERCK INDEX
m4160
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY Merck Index
DRUG BANK
DBSALT000040
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
SMS_ID
100000088394
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
CAS
64-73-3
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
ECHA (EC/EINECS)
200-592-2
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
CHEBI
59725
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
FDA UNII
29O079NTYT
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
NSC
756708
Created by admin on Fri Dec 15 15:06:51 UTC 2023 , Edited by admin on Fri Dec 15 15:06:51 UTC 2023
PRIMARY
Related Record Type Details
Structure of DEMECLOCYCLINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of DEMECLOCYCLINE
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