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AMTB hydrochloride

CAT: 0024-sc-361103ASize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-361103ASize:25 mg
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CAS Number
926023-82-7

Chemical Information

AMTB hydrochloride
CAS Number926023-82-7
PubChem CID16095383
IUPAC NameN-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-(thiophen-2-ylmethyl)benzamide;hydrochloride
Molecular FormulaC23H27ClN2O2S
Molecular Weight431.0
Topological Polar Surface Area83.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count29
Formal Charge0
Complexity476
SMILES
CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)N(CCCN)CC3=CC=CS3.Cl
InChI
InChI=1S/C23H26N2O2S.ClH/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20;/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3;1H
InChIKey
UDXGBANGPYONOK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AMTB hydrochloride
CAS: 926023-82-7
CID: 16095383
Formula: C23H27ClN2O2S
MW: 431.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass430.1481770
Monoisotopic Mass430.1481770
Topological Polar Surface Area83.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity476
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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