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BAPTA-AM

CAT: 0607-B4758-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-B4758-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
calcium chelator, selective and membrane permeable
CAS Number
126150-97-8
Field of Research
Others
Purity
0.98
Solubility
insoluble in H2O; insoluble in EtOH; ≥16.3 mg/mL in DMSO with gentle warming
Smiles
O=C(CN(CC(OCOC(C)=O)=O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(OCOC(C)=O)=O)CC(OCOC(C)=O)=O)OCOC(C)=O
Molecular Formula
C34H40N2O18
Molecular Weight
764.68
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at -20°C.

Chemical Information

Bapta-AM

2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]anilino]acetic acid acetyloxymethyl ester is an alpha-amino acid ester.

CAS Number126150-97-8
PubChem CID2293
IUPAC Nameacetyloxymethyl 2-[N-[2-(acetyloxymethoxy)-2-oxoethyl]-2-[2-[2-[bis[2-(acetyloxymethoxy)-2-oxoethyl]amino]phenoxy]ethoxy]anilino]acetate
Molecular FormulaC34H40N2O18
Molecular Weight764.7
XLogP3.4
Topological Polar Surface Area235
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count31
Heavy Atom Count54
Formal Charge0
Complexity1100
SMILES
CC(=O)OCOC(=O)CN(CC(=O)OCOC(=O)C)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C
InChI
InChI=1S/C34H40N2O18/c1-23(37)47-19-51-31(41)15-35(16-32(42)52-20-48-24(2)38)27-9-5-7-11-29(27)45-13-14-46-30-12-8-6-10-28(30)36(17-33(43)53-21-49-25(3)39)18-34(44)54-22-50-26(4)40/h5-12H,13-22H2,1-4H3
InChIKey
YJIYWYAMZFVECX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bapta-AM
CAS: 126150-97-8
CID: 2293
Formula: C34H40N2O18
MW: 764.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight764.7
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count31
Exact Mass764.22761243
Monoisotopic Mass764.22761243
Topological Polar Surface Area235 Ų
Heavy Atom Count54
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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