NRX-0492

CAT: 0607-BA8837-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA8837-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2416130-57-7

Form

A solid

Molecular Formula

C43H51N11O6

Molecular Weight

817.94

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

3-[[4-[1-[[(3S)-1-[2-(2,6-Dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]-3-pyrrolidinyl]methyl]-4-piperidinyl]phenyl]amino]-5-[(3R)-3-(3-methyl-2-oxo-1-imidazolidinyl)-1-piperidinyl]-2-pyrazinecarboxamide

CAS Number	2416130-57-7
PubChem CID	146559024
IUPAC Name	3-[4-[1-[[(3S)-1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
Molecular Formula	C43H51N11O6
Molecular Weight	817.9
XLogP	2.7
Topological Polar Surface Area	198
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	10
Heavy Atom Count	60
Formal Charge	0
Complexity	1650

SMILES

CN1CCN(C1=O)[C@@H]2CCCN(C2)C3=CN=C(C(=N3)NC4=CC=C(C=C4)C5CCN(CC5)C[C@@H]6CCN(C6)C7=CC8=C(C=C7)C(=O)N(C8=O)C9CCC(=O)NC9=O)C(=O)N

InChI

InChI=1S/C43H51N11O6/c1-49-19-20-53(43(49)60)31-3-2-15-52(25-31)35-22-45-37(38(44)56)39(47-35)46-29-6-4-27(5-7-29)28-13-16-50(17-14-28)23-26-12-18-51(24-26)30-8-9-32-33(21-30)42(59)54(41(32)58)34-10-11-36(55)48-40(34)57/h4-9,21-22,26,28,31,34H,2-3,10-20,23-25H2,1H3,(H2,44,56)(H,46,47)(H,48,55,57)/t26-,31+,34?/m0/s1

InChIKey

WFDYOAWNEOGIPM-NJZOVTIDSA-N

Chemical Structure

2D Structure

CAS: 2416130-57-7

CID: 146559024

Formula: C43H51N11O6

MW: 817.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	817.9
XLogP3	2.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	10
Exact Mass	817.40237839
Monoisotopic Mass	817.40237839
Topological Polar Surface Area	198 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1650
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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