Products for Research Use Only
RegisterLogin

ACT-280778

CAT: 0013-GTR19210057-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19210057-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ACT-280778
CAS Number
1537197-53-7
Smiles
OC (=O) \C=C/C (O) =O.OC (=O) \C=C/C (O) =O.[H][C@]12CC[C@] ([H]) (C=C1c1ccccc1) [C@] (CCN (C) CCCc1nc3c (OC) ccc (OC) c3[nH]1) (C2) OC (=O) C (C) C
Molecular Formula
C41H51N3O12
Molecular Weight
777.87
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N2ZP3P57AR
CAS Number1537197-53-7
PubChem CID154701411
IUPAC Namebis((Z)-but-2-enedioic acid);[(1R,2R,4R)-2-[2-[3-(4,7-dimethoxy-1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-5-phenyl-2-bicyclo[2.2.2]oct-5-enyl] 2-methylpropanoate
Molecular FormulaC41H51N3O12
Molecular Weight777.9
Topological Polar Surface Area226
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count56
Formal Charge0
Complexity993
SMILES
CC(C(=O)O[C@@]1([C@H]2C=C([C@@H](C1)CC2)C3=CC=CC=C3)CCN(CCCC4=NC5=C(C=CC(=C5N4)OC)OC)C)C.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
InChI
InChI=1S/C33H43N3O4.2C4H4O4/c1-22(2)32(37)40-33(21-24-13-14-25(33)20-26(24)23-10-7-6-8-11-23)17-19-36(3)18-9-12-29-34-30-27(38-4)15-16-28(39-5)31(30)35-29;2*5-3(6)1-2-4(7)8/h6-8,10-11,15-16,20,22,24-25H,9,12-14,17-19,21H2,1-5H3,(H,34,35);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-/t24-,25-,33+;;/m1../s1
InChIKey
XCOMDWDKJAXYDF-YCAFZAMQSA-N
Chemical Structure
2D Structure
2D structure of N2ZP3P57AR
CAS: 1537197-53-7
CID: 154701411
Formula: C41H51N3O12
MW: 777.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight777.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass777.34727407
Monoisotopic Mass777.34727407
Topological Polar Surface Area226 Ų
Heavy Atom Count56
Formal Charge0
Complexity993
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19212354-01ACT-777991
GTR19209318-01ACT-281959
GTR19201601-01ACT 335827
GTR19198305-01ACT-209905
GTR19198304-01ACT-387042
GTR19184860-01ACT-660602
GTR18316453ACT Antibody
GTR18007206ACT Antibody
GTR19212392-01ACT-606559
GTR19204096-01ACT 178882

Alternative Products

CatalogName
T70475-01ACT-280778
YP-W16964-01Human ACT (ACT) ELISA Kit
MBS132402-01Macitentan (ACT 064992; ACT-064992)
BA5667-50ACT-462206
BA5321-10ACT-389949
BA5305-5.1ACT-660602
BA5299-5ACT-777991
B3279-5ACT-132577
571533ACT-451840
HY-153240ACT-672125

Popular Products