Home Other Building Blocks Rauwolscine hydrochloride

Rauwolscine hydrochloride

CAS No.:
6211-32-1
Catalog Number:
AG00EAKR
Molecular Formula:
C21H27ClN2O3
Molecular Weight:
390.9037
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
≥98%
1 week
United States
$91
- +
100mg
≥98%
1 week
United States
$111
- +
250mg
≥98%
1 week
United States
$187
- +
Product Description
Catalog Number:
AG00EAKR
Chemical Name:
Rauwolscine hydrochloride
CAS Number:
6211-32-1
Molecular Formula:
C21H27ClN2O3
Molecular Weight:
390.9037
MDL Number:
MFCD00069342
IUPAC Name:
methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate;hydrochloride
InChI:
InChI=1S/C21H26N2O3.ClH/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24;/h2-5,12,15,17-19,22,24H,6-11H2,1H3;1H/t12-,15+,17+,18+,19+;/m1./s1
InChI Key:
PIPZGJSEDRMUAW-ZKKXXTDSSA-N
SMILES:
COC(=O)[C@@H]1[C@@H](O)CC[C@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1.Cl
EC Number:
228-279-6
UNII:
PQ323MIB24
Properties
Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
390.171g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
390.908g/mol
Monoisotopic Mass:
390.171g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. Bioorganic & medicinal chemistry 20121115
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. Nature chemical biology 20091001
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties