Products for Research Use Only
RegisterLogin

Mitotempol

CAT: 0926-BUB11339-01Size: 1 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-BUB11339-01Size:1 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1101113-39-6
Smiles
CC1 (CC (CC (N1[O]) (C) C) OCCCCC[P+] (C2=CC=CC=C2) (C3=CC=CC=C3) C4=CC=CC=C4) C.[Br-]
Molecular Formula
C32H42BrNO2P
Molecular Weight
583.6 g/mol
Controlled
No

Chemical Information

MitoTEMPOL
CAS Number1101113-39-6
PubChem CID132285183
Molecular FormulaC32H42BrNO2P
Molecular Weight583.6
Topological Polar Surface Area13.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity583
SMILES
CC1(CC(CC(N1[O])(C)C)OCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]
InChI
InChI=1S/C32H42NO2P.BrH/c1-31(2)25-27(26-32(3,4)33(31)34)35-23-15-8-16-24-36(28-17-9-5-10-18-28,29-19-11-6-12-20-29)30-21-13-7-14-22-30;/h5-7,9-14,17-22,27H,8,15-16,23-26H2,1-4H3;1H/q+1;/p-1
InChIKey
NCMZESLTQCMFES-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of MitoTEMPOL
CAS: 1101113-39-6
CID: 132285183
Formula: C32H42BrNO2P
MW: 583.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass582.21365
Monoisotopic Mass582.21365
Topological Polar Surface Area13.5 Ų
Heavy Atom Count37
Formal Charge0
Complexity583
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BUP21203-01MitoTEMPOL

Popular Products