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119942-70-0 | Spiro[2H-benzofuro[2,3-a]quinolizine-2,4'(1'H)-pyrimidin]-2'(3'H)-one, 1,3,4,5',6,6',7,12b-octahydro-1',3'-dimethyl-, hydrochloride (1:1), (2S,12bS)-
CAS No: 119942-70-0 Catalog No: AG000PWD MDL No:MFCD11045946
Product Description
Catalog Number:
AG000PWD
Chemical Name:
Spiro[2H-benzofuro[2,3-a]quinolizine-2,4'(1'H)-pyrimidin]-2'(3'H)-one, 1,3,4,5',6,6',7,12b-octahydro-1',3'-dimethyl-, hydrochloride (1:1), (2S,12bS)-
CAS Number:
119942-70-0
Molecular Formula:
C20H26ClN3O2
Molecular Weight:
375.8923
MDL Number:
MFCD11045946
IUPAC Name:
(2S,12bS)-1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzofuro[2,3-a]quinolizine-2,4'-1,3-diazinane]-2'-one;hydrochloride
InChI:
InChI=1S/C20H25N3O2.ClH/c1-21-11-8-20(22(2)19(21)24)9-12-23-10-7-15-14-5-3-4-6-17(14)25-18(15)16(23)13-20;/h3-6,16H,7-13H2,1-2H3;1H/t16-,20+;/m0./s1
InChI Key:
ALYCEQJIRFYVGE-VASSOYJASA-N
SMILES:
CN1CC[C@@]2(N(C1=O)C)CCN1[C@@H](C2)c2oc3c(c2CC1)cccc3.Cl
UNII:
4A6522ZKT5
Properties
Complexity:
555
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
375.171g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.897g/mol
Monoisotopic Mass:
375.171g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| 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 |
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