ICI-222155

CAT: 0931-T70968-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T70968-01Size:25 mg

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

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CAS Number

132414-04-1

Target

Others

Related Pathways

Others

Bioactivity

ICI-222155 is an aldose reductase inhibitor.

Smiles

S(CN(=O)=O)(=O)(=O)C1=C(C)C=C(N)C=C1C

Molecular Formula

C9H12N2O4S

Molecular Weight

244.27

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Ici 222155

structure in first source

CAS Number	132414-04-1
PubChem CID	195716
IUPAC Name	3,5-dimethyl-4-(nitromethylsulfonyl)aniline
Molecular Formula	C9H12N2O4S
Molecular Weight	244.27
XLogP	1.1
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	345

SMILES

CC1=CC(=CC(=C1S(=O)(=O)C[N+](=O)[O-])C)N

InChI

InChI=1S/C9H12N2O4S/c1-6-3-8(10)4-7(2)9(6)16(14,15)5-11(12)13/h3-4H,5,10H2,1-2H3

InChIKey

FIMPGOJEDMNMHL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 132414-04-1

CID: 195716

Formula: C9H12N2O4S

MW: 244.27

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	244.27
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	244.05177804
Monoisotopic Mass	244.05177804
Topological Polar Surface Area	114 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	345
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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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Chemical Information

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