Home Carboxys (1R,3R)-9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, hydrochloride

(1R,3R)-9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, hydrochloride

CAS No.:
171752-68-4
Catalog Number:
AG00AOPA
Molecular Formula:
C20H19ClN2O4
Molecular Weight:
386.8289
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$32
- +
25g
98%
In Stock USA
United States
$85
- +
100g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG00AOPA
Chemical Name:
(1R,3R)-9H-Pyrido[3,4-b]indole-3-carboxylic acid, 1,2,3,4-tetrahydro-1-(3,4-methylenedioxyph enyl), methyl ester, hydrochloride
CAS Number:
171752-68-4
Molecular Formula:
C20H19ClN2O4
Molecular Weight:
386.8289
MDL Number:
MFCD09842269
IUPAC Name:
methyl (1R,3R)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride
InChI:
InChI=1S/C20H18N2O4.ClH/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16;/h2-8,15,18,21-22H,9-10H2,1H3;1H/t15-,18-;/m1./s1
InChI Key:
ROYJOKDTCKPQHK-KQKCUOLZSA-N
SMILES:
COC(=O)[C@@H]1N[C@H](c2ccc3c(c2)OCO3)c2c(C1)c1ccccc1[nH]2.Cl
Properties
Complexity:
544  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
386.103g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
386.832g/mol
Monoisotopic Mass:
386.103g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties