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Sr 33805 oxalate

CAT: 0926-WEA34633-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-WEA34633-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
121346-33-6
MDL Number
MFCD00919219
Smiles
CC (C) C1=C (N (C2=CC=CC=C21) C) S (=O) (=O) C3=CC=C (C=C3) OCCCN (C) CCC4=CC (=C (C=C4) OC) OC.C (=O) (C (=O) O) O
Molecular Formula
C34H42N2O9S
Molecular Weight
654.8 g/mol
Controlled
No

Chemical Information

N-(3,4-Dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methylpropan-1-amine oxalate
CAS Number121346-33-6
PubChem CID21256218
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-[4-(1-methyl-3-propan-2-ylindol-2-yl)sulfonylphenoxy]propan-1-amine;oxalic acid
Molecular FormulaC34H42N2O9S
Molecular Weight654.8
Topological Polar Surface Area153
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Heavy Atom Count46
Formal Charge0
Complexity927
SMILES
CC(C)C1=C(N(C2=CC=CC=C21)C)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC.C(=O)(C(=O)O)O
InChI
InChI=1S/C32H40N2O5S.C2H2O4/c1-23(2)31-27-10-7-8-11-28(27)34(4)32(31)40(35,36)26-15-13-25(14-16-26)39-21-9-19-33(3)20-18-24-12-17-29(37-5)30(22-24)38-6;3-1(4)2(5)6/h7-8,10-17,22-23H,9,18-21H2,1-6H3;(H,3,4)(H,5,6)
InChIKey
MZWPPDAHWIKZID-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3,4-Dimethoxyphenethyl)-3-(4-((3-isopropyl-1-methyl-1H-indol-2-yl)sulfonyl)phenoxy)-N-methylpropan-1-amine oxalate
CAS: 121346-33-6
CID: 21256218
Formula: C34H42N2O9S
MW: 654.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight654.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count14
Exact Mass654.26110210
Monoisotopic Mass654.26110210
Topological Polar Surface Area153 Ų
Heavy Atom Count46
Formal Charge0
Complexity927
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

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