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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H20FN5O4.C4H7NO4
Molecular Weight 534.4943
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ZABOFLOXACIN D-ASPARTATE

SMILES

N[C@H](CC(O)=O)C(O)=O.CO\N=C1/CN(CC12CNC2)C3=C(F)C=C4C(=O)C(=CN(C5CC5)C4=N3)C(O)=O

InChI

InChIKey=OBWXDHHUYKIHDV-USSIZITKSA-N
InChI=1S/C19H20FN5O4.C4H7NO4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17;5-2(4(8)9)1-3(6)7/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28);2H,1,5H2,(H,6,7)(H,8,9)/b23-14+;/t;2-/m.1/s1

HIDE SMILES / InChI

Molecular Formula C4H7NO4
Molecular Weight 133.1027
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C19H20FN5O4
Molecular Weight 401.3916
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:48:47 UTC 2023
Edited
by admin
on Sat Dec 16 13:48:47 UTC 2023
Record UNII
A0QFV40KA8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ZABOFLOXACIN D-ASPARTATE
Common Name English
D-ASPARTIC ACID, 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-7-((8Z)-8-(METHOXYIMINO)-2,6-DIAZASPIRO(3.4)OCT-6-YL)-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
A0QFV40KA8
Created by admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
PRIMARY
CAS
1808295-63-7
Created by admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
PRIMARY
EVMPD
SUB196885
Created by admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
PRIMARY
SMS_ID
100000182637
Created by admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
PRIMARY
PUBCHEM
25052203
Created by admin on Sat Dec 16 13:48:47 UTC 2023 , Edited by admin on Sat Dec 16 13:48:47 UTC 2023
PRIMARY
Related Record Type Details
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PARENT -> SALT/SOLVATE
SOLVATE->ANHYDROUS