Sitafloxacin Impurity 50

CAT: 1299-RM-S111676-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S111676-01Size:10 mg

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CAS Number

1432056-70-6

Synonyms

(R) -tert-butyl (5-benzyl-5-azaspiro[2.4]heptan-7-yl) carbamate

Molecular Formula

C18H26N2O2

Molecular Weight

302.41

Target Alternative Name

Sitafloxacin

Product Name Synonym

(R) -tert-butyl (5-benzyl-5-azaspiro[2.4]heptan-7-yl) carbamate

Chemical Information

tert-butyl (R)-(5-benzyl-5-azaspiro[2.4]heptan-7-yl)carbamate

CAS Number	1432056-70-6
PubChem CID	73294331
IUPAC Name	tert-butyl N-[(7R)-5-benzyl-5-azaspiro[2.4]heptan-7-yl]carbamate
Molecular Formula	C18H26N2O2
Molecular Weight	302.4
XLogP	2.9
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	22
Formal Charge	0
Complexity	406

SMILES

CC(C)(C)OC(=O)N[C@H]1CN(CC12CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)19-15-12-20(13-18(15)9-10-18)11-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,19,21)/t15-/m0/s1

InChIKey

UCBLMUMETZZNIZ-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 1432056-70-6

CID: 73294331

Formula: C18H26N2O2

MW: 302.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	302.4
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	302.199428076
Monoisotopic Mass	302.199428076
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	406
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes