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YM-430

CAT: 0013-GTR19196129-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196129-02Size:50 mg
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Description
YM-430
CAS Number
153192-22-4
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Smiles
C (OCCCCNC[C@@H] (COC1=CC=CC=C1) O) (=O) C=2[C@H] (C (C (OC) =O) =C (C) NC2C) C3=CC (N (=O) =O) =CC=C3
Molecular Formula
C29H35N3O8
Molecular Weight
553.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

YM 15430-1

YM-15430-1-4 are stereoisomers; RN refers to YM 15430-1, (S,S-isomer); structure given in first source

CAS Number153192-22-4
PubChem CID9915614
IUPAC Name5-O-[4-[(2-hydroxy-3-phenoxypropyl)amino]butyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC29H35N3O8
Molecular Weight553.6
XLogP3.8
Topological Polar Surface Area152
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Heavy Atom Count40
Formal Charge0
Complexity938
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCCCCNCC(COC2=CC=CC=C2)O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C29H35N3O8/c1-19-25(28(34)38-3)27(21-10-9-11-22(16-21)32(36)37)26(20(2)31-19)29(35)39-15-8-7-14-30-17-23(33)18-40-24-12-5-4-6-13-24/h4-6,9-13,16,23,27,30-31,33H,7-8,14-15,17-18H2,1-3H3
InChIKey
HBXMSJLNXYLVTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of YM 15430-1
CAS: 153192-22-4
CID: 9915614
Formula: C29H35N3O8
MW: 553.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.6
XLogP33.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count15
Exact Mass553.24241508
Monoisotopic Mass553.24241508
Topological Polar Surface Area152 Ų
Heavy Atom Count40
Formal Charge0
Complexity938
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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