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BAPTA-APM

CAT: 0013-GTR19245198-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19245198-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAPTA-APM is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
352000-08-9
Field of Research
Cardiovascular Research
Smiles
CC1=CC (OCCOC2=C (N (CC (O[K]) =O) CC (O[K]) =O) C=CC (CCCN) =C2) =C (N (CC (O[K]) =O) CC (O[K]) =O) C=C1
Molecular Formula
C26H29K4N3O10
Molecular Weight
699.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bapta-apm
CAS Number352000-08-9
PubChem CID2735436
IUPAC Nametetrapotassium;2-[2-[2-[5-(3-aminopropyl)-2-[bis(carboxylatomethyl)amino]phenoxy]ethoxy]-N-(carboxylatomethyl)-4-methylanilino]acetate
Molecular FormulaC26H29K4N3O10
Molecular Weight699.9
Topological Polar Surface Area211
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Heavy Atom Count43
Formal Charge0
Complexity759
SMILES
CC1=CC(=C(C=C1)N(CC(=O)[O-])CC(=O)[O-])OCCOC2=C(C=CC(=C2)CCCN)N(CC(=O)[O-])CC(=O)[O-].[K+].[K+].[K+].[K+]
InChI
InChI=1S/C26H33N3O10.4K/c1-17-4-6-19(28(13-23(30)31)14-24(32)33)21(11-17)38-9-10-39-22-12-18(3-2-8-27)5-7-20(22)29(15-25(34)35)16-26(36)37;;;;/h4-7,11-12H,2-3,8-10,13-16,27H2,1H3,(H,30,31)(H,32,33)(H,34,35)(H,36,37);;;;/q;4*+1/p-4
InChIKey
KQVVJEZWKUHNGT-UHFFFAOYSA-J
Chemical Structure
2D Structure
2D structure of Bapta-apm
CAS: 352000-08-9
CID: 2735436
Formula: C26H29K4N3O10
MW: 699.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight699.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Exact Mass699.0401201
Monoisotopic Mass699.0401201
Topological Polar Surface Area211 Ų
Heavy Atom Count43
Formal Charge0
Complexity759
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count5
Compound Is CanonicalizedYes

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