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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H24N2O8.C2H6O.ClH
Molecular Weight 526.964
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DOXYCYCLINE HYCLATE ANHYDROUS

SMILES

Cl.CCO.[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=OJMDBNRHBLXJLF-QFWOMMJSSA-N
InChI=1S/C22H24N2O8.C2H6O.ClH/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;1-2-3;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;1H/t7-,10+,14+,15-,17-,22-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula C2H6O
Molecular Weight 46.0684
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 01:39:08 UTC 2023
Edited
by admin
on Sat Dec 16 01:39:08 UTC 2023
Record UNII
NPV78C39GQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DOXYCYCLINE HYCLATE ANHYDROUS
Common Name English
Code System Code Type Description
FDA UNII
NPV78C39GQ
Created by admin on Sat Dec 16 01:39:08 UTC 2023 , Edited by admin on Sat Dec 16 01:39:08 UTC 2023
PRIMARY
Related Record Type Details
SOLVATE->ANHYDROUS
SUBSTANCE->BASIS OF STRENGTH
ASSAY (HPLC)
USP