Isavuconazole Impurity 26

CAT: 1596-AR-I03984-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-I03984-01Size:50 Units

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CAS Number

1180002-01-0

Synonyms

(2- (Methylamino) pyridin-3-yl) methyl N- (tert-butoxycarbonyl) -N-methylglycinate

Molecular Formula

C15H23N3O4

Molecular Weight

309.37

API Name

Isavuconazole

Chemical Information

N-((1,1-Dimethylethoxy)carbonyl)-N-methylglycine (2-(methylamino)-3-pyridinyl)methyl ester

CAS Number	1180002-01-0
PubChem CID	118704864
IUPAC Name	[2-(methylamino)-3-pyridinyl]methyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
Molecular Formula	C15H23N3O4
Molecular Weight	309.36
XLogP	1.8
Topological Polar Surface Area	80.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Heavy Atom Count	22
Formal Charge	0
Complexity	381

SMILES

CC(C)(C)OC(=O)N(C)CC(=O)OCC1=C(N=CC=C1)NC

InChI

InChI=1S/C15H23N3O4/c1-15(2,3)22-14(20)18(5)9-12(19)21-10-11-7-6-8-17-13(11)16-4/h6-8H,9-10H2,1-5H3,(H,16,17)

InChIKey

SREJHHORJXVQGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1180002-01-0

CID: 118704864

Formula: C15H23N3O4

MW: 309.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	309.36
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	8
Exact Mass	309.16885622
Monoisotopic Mass	309.16885622
Topological Polar Surface Area	80.8 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	381
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes