ZABOFLOXACIN D-ASPARTATE SESQUIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C19H20FN5O4.2C4H7NO4.3H2O
Molecular Weight	1123.0344
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	2
Charge	0
Stereo Comments	Assumed Z-isomer

SHOW SMILES / InChI

Structure of ZABOFLOXACIN D-ASPARTATE SESQUIHYDRATE

Structure Search

SMILES

O.O.O.N[C@H](CC(O)=O)C(O)=O.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.CO\N=C6/CN(CC67CNC7)C8=C(F)C=C9C(=O)C(=CN(C%10CC%10)C9=N8)C(O)=O

InChI

InChIKey=CBRIHWAFFDZLQU-BOGMURSJSA-N

InChI=1S/2C19H20FN5O4.2C4H7NO4.3H2O/c2*1-29-23-14-6-24(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;2*5-2(4(8)9)1-3(6)7;;;/h2*4-5,10,21H,2-3,6-9H2,1H3,(H,27,28);2*2H,1,5H2,(H,6,7)(H,8,9);3*1H2/b2*23-14+;;;;;/t;;2*2-;;;/m..11.../s1

HIDE SMILES / InChI

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

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 13:48:48 UTC 2023` Edited by `admin` on `Sat Dec 16 13:48:48 UTC 2023`
Record UNII	5ES4SV75WA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ZABOFLOXACIN D-ASPARTATE SESQUIHYDRATE

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, HYDRATE (2:2:3)

Systematic Name

English

Code System Code Type Description

FDA UNII

5ES4SV75WA