DMAC-SPP

CAT: 0926-NBB59910-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-NBB59910-01Size:250 mg

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CAS Number

663599-10-8

MDL Number

MFCD20227697

Smiles

CC (CCC (=O) ON1C (=O) CCC1=O) SSC2=C (C=NC=C2) C (=O) N (C) C

Molecular Formula

C17H21N3O5S2

Molecular Weight

411.5 g/mol

Controlled

Chemical Information

2,5-Dioxopyrrolidin-1-yl 4-((3-(dimethylcarbamoyl)pyridin-4-yl)disulfanyl)pentanoate

CAS Number	663599-10-8
PubChem CID	118797505
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 4-[[3-(dimethylcarbamoyl)-4-pyridinyl]disulfanyl]pentanoate
Molecular Formula	C17H21N3O5S2
Molecular Weight	411.5
XLogP	0.6
Topological Polar Surface Area	147
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	27
Formal Charge	0
Complexity	571

SMILES

CC(CCC(=O)ON1C(=O)CCC1=O)SSC2=C(C=NC=C2)C(=O)N(C)C

InChI

InChI=1S/C17H21N3O5S2/c1-11(4-7-16(23)25-20-14(21)5-6-15(20)22)26-27-13-8-9-18-10-12(13)17(24)19(2)3/h8-11H,4-7H2,1-3H3

InChIKey

AFGUQHOCEUTKEQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 663599-10-8

CID: 118797505

Formula: C17H21N3O5S2

MW: 411.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	411.5
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	411.09226313
Monoisotopic Mass	411.09226313
Topological Polar Surface Area	147 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	571
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
NBB59904-01	DMAC-PDB
CTA07227-01	Sulfo-SPP
MB32165-01	Blue dextran (MW 2000000) - from Leuconostoc spp
YD45147-01	Dextran sulfate sodium salt - MW 9,000-11,000 - from Leuconostoc spp
FD65008-01	DMAT
EGA14938-01	Dmab-anabaseine dihydrochloride
AD34908-01	17-DMAG hydrochloride
ECA68743-01	Methyl-DMA
QXB19797	DLin-KC2-DMA
70R-13972	SPP1 antibody