CAS 66640-86-6 | 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-,hydrazide, (3aS,4S,6aR)- | CAS Number 66640-86-6

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66640-86-6 | 1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-,hydrazide, (3aS,4S,6aR)-

CAS No: 66640-86-6 Catalog No: AG00IBM8 MDL No:MFCD00078532

Product Description

Catalog Number:

AG00IBM8

Chemical Name:

1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-,hydrazide, (3aS,4S,6aR)-

CAS Number:

66640-86-6

Molecular Formula:

C10H18N4O2S

Molecular Weight:

258.3405

MDL Number:

MFCD00078532

IUPAC Name:

5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanehydrazide

InChI:

InChI=1S/C10H18N4O2S/c11-14-8(15)4-2-1-3-7-9-6(5-17-7)12-10(16)13-9/h6-7,9H,1-5,11H2,(H,14,15)(H2,12,13,16)/t6-,7-,9-/m0/s1

InChI Key:

KOZWHQPRAOJMBN-ZKWXMUAHSA-N

SMILES:

NNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2

Properties

Complexity:

313

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

258.115g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

258.34g/mol

Monoisotopic Mass:

258.115g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

122A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.7

Literature

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Primary glia expressing the G93A-SOD1 mutation present a neuroinflammatory phenotype and provide a cellular system for studies of glial inflammation.	Journal of neuroinflammation 20060101
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