U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24N2O8
Molecular Weight 444.4346
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXYCYCLINE ANHYDROUS

SMILES

[H][C@@]12[C@@H](C)C3=CC=CC(O)=C3C(=O)C1=C(O)[C@]4(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]4([H])[C@H]2O

InChI

InChIKey=JBIWCJUYHHGXTC-AKNGSSGZSA-N
InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H24N2O8
Molecular Weight 444.4346
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:49:17 UTC 2023
Edited
by admin
on Fri Dec 15 15:49:17 UTC 2023
Record UNII
334895S862
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOXYCYCLINE ANHYDROUS
Common Name English
ANHYDROUS DOXYCYCLINE
MART.  
Common Name English
DOXYCYCLINE [HSDB]
Common Name English
ANHYDROUS DOXYCYCLINE [MART.]
Common Name English
doxycycline [INN]
Common Name English
2-NAPHTHACENECARBOXAMIDE, 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-, (4S-(4.ALPHA.,4A.ALPHA.,5.ALPHA.,5A.ALPHA.,6.ALPHA.,12A.ALPHA.))-
Common Name English
DOXYCYCLINE (ANHYDROUS)
Common Name English
DOXYCYCLINE ANHYDROUS [MI]
Common Name English
Doxycycline [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-ATC J01AA02
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
WHO-ATC A01AB22
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
NDF-RT N0000175882
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
NCI_THESAURUS C1595
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
Code System Code Type Description
EVMPD
SUB06393MIG
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
DRUG BANK
DB00254
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
DAILYMED
334895S862
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
RXCUI
1545992
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY RxNorm
CHEBI
50845
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
EPA CompTox
DTXSID0037653
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-271-1
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
INN
2125
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
NCI_THESAURUS
C76990
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
HSDB
3071
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
MERCK INDEX
m4758
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
FDA UNII
334895S862
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
SMS_ID
100000092212
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
CAS
564-25-0
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
EVMPD
SUB105904
Created by admin on Fri Dec 15 15:49:17 UTC 2023 , Edited by admin on Fri Dec 15 15:49:17 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
SOLVATE->ANHYDROUS
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY