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49637-08-3

49637-08-3 | 8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride

CAS No: 49637-08-3 Catalog No: AG00DVDT MDL No:

Product Description

Catalog Number:
AG00DVDT
Chemical Name:
8-(1,2-dimethylheptyl)-1,3,4,5-tetrahydro-5,5-dimethyl-2-(2-propynyl)-2H-(1)benzopyrano(4,3-c)pyridin-10-yl ester, monohydrochloride
CAS Number:
49637-08-3
IUPAC Name:
[5,5-dimethyl-8-(3-methyloctan-2-yl)-2-prop-2-ynyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-10-yl] 4-piperidin-1-ylbutanoate;hydrochloride
InChI:
InChI=1S/C35H52N2O3.ClH/c1-7-9-11-15-26(3)27(4)28-23-31(39-33(38)16-14-21-36-19-12-10-13-20-36)34-29-25-37(18-8-2)22-17-30(29)35(5,6)40-32(34)24-28;/h2,23-24,26-27H,7,9-22,25H2,1,3-6H3;1H
InChI Key:
KWXQFOPVLBPXHY-UHFFFAOYSA-N
UNII:
2F3L1A6VXE

Properties

Complexity:
911  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
584.374g/mol
Formal Charge:
0
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
585.27g/mol
Monoisotopic Mass:
584.374g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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