Aztreonam Impurity 81

CAT: 1299-RM-A201981-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-A201981-01Size:10 mg

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

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CAS Number

127759-89-1

Synonyms

(E) -2- (2- (2-aminothiazol-4-yl) -2- (((1-hydroxy-1-imino-2-methylpropan-2-yl) oxy) imino) acetamido) -3- (sulfoamino) butanoic acid

Molecular Formula

C13H20N6O8S2

Molecular Weight

452.46

Target Alternative Name

Aztreonam

Chemical Information

Lobucavir

Lobucavir has been used in trials studying the treatment of HIV Infections and Cytomegalovirus Infections.

CAS Number	127759-89-1
PubChem CID	135413519
IUPAC Name	2-amino-9-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]-1H-purin-6-one
Molecular Formula	C11H15N5O3
Molecular Weight	265.27
XLogP	-1.9
Topological Polar Surface Area	126
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	19
Formal Charge	0
Complexity	415

SMILES

C1[C@@H]([C@H]([C@@H]1N2C=NC3=C2N=C(NC3=O)N)CO)CO

InChI

InChI=1S/C11H15N5O3/c12-11-14-9-8(10(19)15-11)13-4-16(9)7-1-5(2-17)6(7)3-18/h4-7,17-18H,1-3H2,(H3,12,14,15,19)/t5-,6-,7-/m1/s1

InChIKey

GWFOVSGRNGAGDL-FSDSQADBSA-N

Chemical Structure

2D Structure

CAS: 127759-89-1

CID: 135413519

Formula: C11H15N5O3

MW: 265.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	265.27
XLogP3	-1.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	265.11748936
Monoisotopic Mass	265.11748936
Topological Polar Surface Area	126 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	415
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes