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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24N2O8.H3O4P
Molecular Weight 542.4297
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXYCYCLINE PHOSPHATE

SMILES

OP(O)(O)=O.[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=ZSBFSJYJVAVBOZ-CVHRZJFOSA-N
InChI=1S/C22H24N2O8.H3O4P/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;1-5(2,3)4/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);(H3,1,2,3,4)/t7-,10+,14+,15-,17-,22-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
DOXYCYCLINE PHOSPHATE
WHO-DD  
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.))-, PHOSPHATE (1:1) (SALT)
Common Name English
Doxycycline phosphate [WHO-DD]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1595
Created by admin on Fri Dec 15 22:07:21 GMT 2023 , Edited by admin on Fri Dec 15 22:07:21 GMT 2023
Code System Code Type Description
FDA UNII
QG2V1M96HM
Created by admin on Fri Dec 15 22:07:21 GMT 2023 , Edited by admin on Fri Dec 15 22:07:21 GMT 2023
PRIMARY
CAS
65034-48-2
Created by admin on Fri Dec 15 22:07:21 GMT 2023 , Edited by admin on Fri Dec 15 22:07:21 GMT 2023
PRIMARY
EVMPD
SUB01833MIG
Created by admin on Fri Dec 15 22:07:21 GMT 2023 , Edited by admin on Fri Dec 15 22:07:21 GMT 2023
PRIMARY
SMS_ID
100000087546
Created by admin on Fri Dec 15 22:07:21 GMT 2023 , Edited by admin on Fri Dec 15 22:07:21 GMT 2023
PRIMARY
PUBCHEM
71587226
Created by admin on Fri Dec 15 22:07:21 GMT 2023 , Edited by admin on Fri Dec 15 22:07:21 GMT 2023
PRIMARY
NCI_THESAURUS
C102526
Created by admin on Fri Dec 15 22:07:21 GMT 2023 , Edited by admin on Fri Dec 15 22:07:21 GMT 2023
PRIMARY