Products for Research Use Only
RegisterLogin

Pentagastrin meglumine

CAT: 0931-T33916-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T33916-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
57448-84-7
Target
Others, Cholecystokinin Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
Pentagastrin meglumine is a synthetic pentapeptide that has effects like gastrin when given parenterally.
Smiles
CNC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Molecular Formula
C44H66N8O14S
Molecular Weight
963.11
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pentagastrin meglumine
CAS Number57448-84-7
PubChem CID6453488
IUPAC Name(3S)-4-[2-[[(2S)-2-aminopropanoyl]amino]phenyl]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid;(2R,3S,4R,5R)-1-(methylamino)hexane-1,2,3,4,5,6-hexol
Molecular FormulaC44H66N8O15S
Molecular Weight979.1
Topological Polar Surface Area410
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count27
Heavy Atom Count68
Formal Charge0
Complexity1490
SMILES
C[C@@H](C(=O)NC1=CC=CC=C1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CCNC(=O)OC(C)(C)C)N.CNC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
InChI
InChI=1S/C37H49N7O9S.C7H17NO6/c1-21(38)33(49)42-26-13-9-7-11-24(26)32(48)28(19-31(46)47)44-34(50)27(15-17-54-5)43-35(51)29(18-22-20-40-25-12-8-6-10-23(22)25)41-30(45)14-16-39-36(52)53-37(2,3)4;1-8-7(14)6(13)5(12)4(11)3(10)2-9/h6-13,20-21,27-29,40H,14-19,38H2,1-5H3,(H,39,52)(H,41,45)(H,42,49)(H,43,51)(H,44,50)(H,46,47);3-14H,2H2,1H3/t21-,27-,28-,29-;3-,4-,5+,6-,7?/m01/s1
InChIKey
CQMHBLZUKMMQQN-WMTHYQLTSA-N
Chemical Structure
2D Structure
2D structure of Pentagastrin meglumine
CAS: 57448-84-7
CID: 6453488
Formula: C44H66N8O15S
MW: 979.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight979.1
Hydrogen Bond Donor Count15
Hydrogen Bond Acceptor Count18
Rotatable Bond Count27
Exact Mass978.43683460
Monoisotopic Mass978.43683460
Topological Polar Surface Area410 Ų
Heavy Atom Count68
Formal Charge0
Complexity1490
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

Related Products

CatalogName
T4579-01Pentagastrin
T31958-01Glycine-pentagastrin
T0503-01Meglumine
T32184-01Iothalamate meglumine
T20637-01Diatrizoate meglumine
T75267-01Crocetin meglumine
T32168-01Iodamide Meglumine
T8173-01Delafloxacin meglumine
T1209-01Flunixin meglumine
T201215-01Iosefamate meglumine

Alternative Products

CatalogName
HY-A0261APentagastrin (meglumine)
GTR19222980-01Pentagastrin meglumine
4002096.0100Pentagastrin

Popular Products