TPP2a bromide

CAT: 0931-T70131-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T70131-02Size:50 mg

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

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CAS Number

1838592-80-5

Target

Others

Related Pathways

Others

Bioactivity

TPP2a is a mitochondrial thioredoxin reductase (TrxR) inhibitor.

Smiles

[Br-].COc1cc(C=CC(=O)C=C(O)C=Cc2ccc(C)o2)ccc1OCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

Molecular Formula

C47H52BrO5P

Molecular Weight

807.81

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

10-[4-[3-Hydroxy-7-(5-methylfuran-2-yl)-5-oxohepta-1,3,6-trienyl]-2-methoxyphenoxy]decyl-triphenylphosphanium bromide

CAS Number	1838592-80-5
PubChem CID	176418735
IUPAC Name	10-[4-[3-hydroxy-7-(5-methylfuran-2-yl)-5-oxohepta-1,3,6-trienyl]-2-methoxyphenoxy]decyl-triphenylphosphanium bromide
Molecular Formula	C47H52BrO5P
Molecular Weight	807.8
Topological Polar Surface Area	68.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	21
Heavy Atom Count	54
Formal Charge	0
Complexity	1070

SMILES

CC1=CC=C(O1)C=CC(=O)C=C(C=CC2=CC(=C(C=C2)OCCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC)O.[Br-]

InChI

InChI=1S/C47H51O5P.BrH/c1-38-26-31-42(52-38)32-30-41(49)37-40(48)29-27-39-28-33-46(47(36-39)50-2)51-34-18-7-5-3-4-6-8-19-35-53(43-20-12-9-13-21-43,44-22-14-10-15-23-44)45-24-16-11-17-25-45;/h9-17,20-33,36-37H,3-8,18-19,34-35H2,1-2H3;1H

InChIKey

LPFQNDVZJVVEPE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1838592-80-5

CID: 176418735

Formula: C47H52BrO5P

MW: 807.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	807.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	21
Exact Mass	806.27357
Monoisotopic Mass	806.27357
Topological Polar Surface Area	68.9 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1070
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	3
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
GTR19209862-01	TPP2a bromide
29309654-500g	Hexadecyltrimethylammonium bromide (Cetyltrimethylammonium bromide)
CB0105	Cetyldimethylethyl ammonium bromide (Ethylhexadecyldimethylammonium bromide)
AR-I03852-01	Ipratropium Bromide Impurity 11 Bromide
AR-U01225-01	Umeclidinium Bromide Impurity 6 Bromide
AR-R11297-01	Rocuronium Bromide Impurity 7 Bromide
O5553-02	Octylonium Bromide (Spasmonen. Otilonium Bromide)
AR-I03850-01	Ipratropium Bromide Impurity 6 Bromide
AR-P31696-01	Pinaverium Bromide Impurity 7 Bromide
AR-U01227-01	Umeclidinium Bromide Impurity 12 Bromide

TPP2a bromide

Chemical Information

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