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NM600

CAT: 0013-GTR19263585-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263585-02Size:10 mg
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Description
NM600 is an alkyl phosphocholine analog RPT drug. It demonstrates antitumor activity in the second GD2+ neuroblastoma xenograft model using SY5Y cells. NM600 is applicable for neuroblastoma research.
CAS Number
2097522-37-5
Smiles
O=C (O) CN1CCN (CC (=O) O) CCN (CC (=O) NC2=CC=C (C=C2) CCCCCCCCCCCCCCCCCCOP (=O) ([O-]) OCC[N+] (C) (C) C) CCN (CC (=O) O) CC1
Molecular Formula
C45H81N6O11P
Molecular Weight
913.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Trimethylazaniumyl)ethyl 18-[4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]phenyl]octadecyl phosphate
CAS Number2097522-37-5
PubChem CID134194848
IUPAC Name2-(trimethylazaniumyl)ethyl 18-[4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]phenyl]octadecyl phosphate
Molecular FormulaC45H81N6O11P
Molecular Weight913.1
XLogP0.3
Topological Polar Surface Area213
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Heavy Atom Count63
Formal Charge0
Complexity1280
SMILES
C[N+](C)(C)CCOP(=O)([O-])OCCCCCCCCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)CN2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O
InChI
InChI=1S/C45H81N6O11P/c1-51(2,3)33-35-62-63(59,60)61-34-19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-40-21-23-41(24-22-40)46-42(52)36-47-25-27-48(37-43(53)54)29-31-50(39-45(57)58)32-30-49(28-26-47)38-44(55)56/h21-24H,4-20,25-39H2,1-3H3,(H4-,46,52,53,54,55,56,57,58,59,60)
InChIKey
MCBYYGYMPQYUDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Trimethylazaniumyl)ethyl 18-[4-[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]phenyl]octadecyl phosphate
CAS: 2097522-37-5
CID: 134194848
Formula: C45H81N6O11P
MW: 913.1
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight913.1
XLogP30.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Exact Mass912.57009442
Monoisotopic Mass912.57009442
Topological Polar Surface Area213 Ų
Heavy Atom Count63
Formal Charge0
Complexity1280
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

Alternative Products

CatalogName
HY-174418NM600

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