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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H25F3N6O5.CH4O3S
Molecular Weight 654.615
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALATROFLOXACIN MESYLATE

SMILES

CS(O)(=O)=O.[H][C@@]12CN(C[C@]1([H])[C@H]2NC(=O)[C@H](C)NC(=O)[C@H](C)N)C3=NC4=C(C=C3F)C(=O)C(=CN4C5=CC=C(F)C=C5F)C(O)=O

InChI

InChIKey=CYETUYYEVKNSHZ-LGOOQLFJSA-N
InChI=1S/C26H25F3N6O5.CH4O3S/c1-10(30)24(37)31-11(2)25(38)32-20-14-7-34(8-15(14)20)23-18(29)6-13-21(36)16(26(39)40)9-35(22(13)33-23)19-4-3-12(27)5-17(19)28;1-5(2,3)4/h3-6,9-11,14-15,20H,7-8,30H2,1-2H3,(H,31,37)(H,32,38)(H,39,40);1H3,(H,2,3,4)/t10-,11-,14-,15+,20+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C26H25F3N6O5
Molecular Weight 558.5091
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula CH4O3S
Molecular Weight 96.106
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 Fri Dec 15 15:52:36 UTC 2023
Edited
by admin
on Fri Dec 15 15:52:36 UTC 2023
Record UNII
2IXX802851
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALATROFLOXACIN MESYLATE
EMA EPAR   ORANGE BOOK   USAN   VANDF  
USAN  
Official Name English
CP-116,517-27
Code English
ALATROFLOXACIN MESYLATE [VANDF]
Common Name English
ALATROFLOXACIN MESILATE [MART.]
Common Name English
7-[(1R,5S,6S)-6-[(S)-2-[(S)-2-Aminopropionamido]propionamido]-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid, monomethanesulfonate
Systematic Name English
ALATROFLOXACIN MESYLATE [USAN]
Common Name English
7-((1R,5S,6S)-6-((S)-2-((S)-2-AMINOPROPIONAMIDO)PROPIONAMIDO)-3-AZABICYCLO(3.1.0)HEX-3-YL)-1-(2,4-DIFLUOROPHENYL)-6-FLUORO-1,4-DIHYDRO-4-OXO-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID, MONOMETHANESULPHONATE
Systematic Name English
ALATROFLOXACIN MESYLATE [EMA EPAR]
Common Name English
517-27
Code English
L-ALANINAMIDE, L-ALANYL-N-(3-(6-CARBOXY-8-(2,4-DIFLUOROPHENYL)-3-FLUORO-5,8-DIHYDRO-5-OXO-1,8-NAPHTHYRIDIN-2-YL)-3-AZABICYCLO(3.1.0)HEX-6-YL)-, MONOMETHANESULFONATE, (1.ALPHA.,5.ALPHA.,6.ALPHA.)
Systematic Name English
L-ALANINAMIDE, L-ALANYL-N-((1.ALPHA.,5.ALPHA.,6.ALPHA.)-3-(6-CARBOXY-8-(2,4-DIFLUOROPHENYL)-3-FLUORO-5,8-DIHYDRO-5-OXO-1,8-NAPHTHYRIDIN-2-YL)-3-AZABICYCLO(3.1.0)HEX-6-YL)-, METHANESULFONATE (1:1)
Systematic Name English
Alatrofloxacin mesilate [WHO-DD]
Common Name English
ALATROFLOXACIN MESYLATE [ORANGE BOOK]
Common Name English
CP-116
Code English
ALATROFLOXACIN MESILATE
MART.   WHO-DD  
Common Name English
L-ALANINAMIDE, L-ALANYL-N-(3-(6-CARBOXY-8-(2,4-DIFLUOROPHENYL)-3-FLUORO-5,8-DIHYDRO-5-OXO-1,8-NAPHTHYRIDIN-2-YL)-3-AZABICYCLO(3.1.0)HEX-6-YL)-, MONOMETHANESULPHONATE, (1.ALPHA.,5.ALPHA.,6.ALPHA.)
Systematic Name English
CP-11651727
Code English
CP-116517-27
Code English
Classification Tree Code System Code
NCI_THESAURUS C795
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
Code System Code Type Description
SMS_ID
100000088003
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
CAS
146961-77-5
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
MESH
C106856
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
CAS
157605-25-9
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
SUPERSEDED
USAN
HH-30
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
EPA CompTox
DTXSID2057655
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
RXCUI
221054
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C65217
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
FDA UNII
2IXX802851
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
DRUG BANK
DBSALT001331
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
PUBCHEM
5282517
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
EVMPD
SUB00322MIG
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
ChEMBL
CHEMBL1201197
Created by admin on Fri Dec 15 15:52:36 UTC 2023 , Edited by admin on Fri Dec 15 15:52:36 UTC 2023
PRIMARY
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