N-Desethyl Sunitinib

CAT: 0127-BUP20436Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20436Size:2 mg

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CAS Number

69567-10-8

Synonyms

SU11662 , SU-11662

Smiles

C(O)[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C

Chemical Information

N-Methyl-1-Deoxynojirimycin

glucosidase inhibitor

CAS Number	69567-10-8
PubChem CID	92381
IUPAC Name	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
Molecular Formula	C7H15NO4
Molecular Weight	177.20
XLogP	-1.9
Topological Polar Surface Area	84.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	154

SMILES

CN1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O

InChI

InChI=1S/C7H15NO4/c1-8-2-5(10)7(12)6(11)4(8)3-9/h4-7,9-12H,2-3H2,1H3/t4-,5+,6-,7-/m1/s1

InChIKey

AAKDPDFZMNYDLR-XZBKPIIZSA-N

Chemical Structure

2D Structure

CAS: 69567-10-8

CID: 92381

Formula: C7H15NO4

MW: 177.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	177.20
XLogP3	-1.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	177.10010796
Monoisotopic Mass	177.10010796
Topological Polar Surface Area	84.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	154
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

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Catalog	Name
MBS3840903-01	N-Desethyl Sunitinib
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A15182-50	N-Desethyl Sunitinib 50mg
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