Alatrofloxacin

CAT: 0931-T23703-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T23703-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

146961-76-4

Target

Others, DNA/RNA Synthesis, Antibiotic

Related Pathways

Cell Cycle/Checkpoint, Others, DNA Damage/DNA Repair, Microbiology/Virology

Bioactivity

Alatrofloxacin is a prodrug of trovafloxacin.

Smiles

O=C1C=2C(N(C=C1C(O)=O)C3=C(F)C=C(F)C=C3)=NC(=C(F)C2)N4C[C@]5([C@@](C4)([C@@H]5NC([C@@H](NC([C@H](C)N)=O)C)=O)[H])[H]

Molecular Formula

C26H25F3N6O5

Molecular Weight

558.51

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Alatrofloxacin

Alatrofloxacin is a peptide.

CAS Number	146961-76-4
PubChem CID	3086677
IUPAC Name	7-[(1R,5S)-6-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]propanoyl]amino]-3-azabicyclo[3.1.0]hexan-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular Formula	C26H25F3N6O5
Molecular Weight	558.5
XLogP	-0.2
Topological Polar Surface Area	158
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	40
Formal Charge	0
Complexity	1080

SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)NC1[C@H]2[C@@H]1CN(C2)C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F)N

InChI

InChI=1S/C26H25F3N6O5/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/h3-6,9-11,14-15,20H,7-8,30H2,1-2H3,(H,31,37)(H,32,38)(H,39,40)/t10-,11-,14-,15+,20?/m0/s1

InChIKey

UUZPPAMZDFLUHD-LZGARRQBSA-N

Chemical Structure

2D Structure

CAS: 146961-76-4

CID: 3086677

Formula: C26H25F3N6O5

MW: 558.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	558.5
XLogP3	-0.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Exact Mass	558.18385241
Monoisotopic Mass	558.18385241
Topological Polar Surface Area	158 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	1080
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19201290-01	Alatrofloxacin
001736	Alatrofloxacin Mesylate
HY-16035A-01	Alatrofloxacin (mesylate)
CS-T-97834	Alatrofloxacin-d4 Mesylate

Alatrofloxacin

Chemical Information

Alternative Products

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