Thalidomide-C2-amido-C2-COOH

CAT: 0127-OR1034246Size: 1 EachDry Ice: NoHazardous: No

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CAT#:0127-OR1034246Size:1 Each

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CAS Number

2353496-84-9

Purity

98%

Smiles

O=C(O)CCC(NCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)=O

Chemical Information

Thalidomide-C2-amido-C2-COOH

CAS Number	2353496-84-9
PubChem CID	138751620
IUPAC Name	4-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethylamino]-4-oxobutanoic acid
Molecular Formula	C19H20N4O7
Molecular Weight	416.4
XLogP	-0.4
Topological Polar Surface Area	162
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	30
Formal Charge	0
Complexity	768

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCNC(=O)CCC(=O)O

InChI

InChI=1S/C19H20N4O7/c24-13(6-7-15(26)27)21-9-8-20-11-3-1-2-10-16(11)19(30)23(18(10)29)12-4-5-14(25)22-17(12)28/h1-3,12,20H,4-9H2,(H,21,24)(H,26,27)(H,22,25,28)

InChIKey

NESMQJNZCMFMPK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2353496-84-9

CID: 138751620

Formula: C19H20N4O7

MW: 416.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	416.4
XLogP3	-0.4
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	416.13319899
Monoisotopic Mass	416.13319899
Topological Polar Surface Area	162 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	768
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

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T18805-01	Thalidomide-C2-amido-C2-COOH
T40012-01	Thalidomide-CH2CONH-C2-COOH
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A20103-50	SLF-amido-C2-COOH 50mg
A20103-25	SLF-amido-C2-COOH 25mg
A20103-10	SLF-amido-C2-COOH 10mg
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Thalidomide-C2-amido-C2-COOH

Chemical Information

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