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18209-15-9

18209-15-9 | Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1-benzoyl-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methyl-, [1aS-(1aα,8β,8aα,8bα)]- (9CI)

CAS No: 18209-15-9 Catalog No: AG0023CZ MDL No:

Product Description

Catalog Number:
AG0023CZ
Chemical Name:
Azirino[2',3':3,4]pyrrolo[1,2-a]indole-4,7-dione, 8-[[(aminocarbonyl)oxy]methyl]-1-benzoyl-1,1a,2,8,8a,8b-hexahydro-6,8a-dimethoxy-5-methyl-, [1aS-(1aα,8β,8aα,8bα)]- (9CI)
CAS Number:
18209-15-9
Molecular Formula:
C23H23N3O7
Molecular Weight:
453.4446
IUPAC Name:
(5-benzoyl-7,11-dimethoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate
InChI:
InChI=1S/C23H23N3O7/c1-11-17(27)16-15(18(28)19(11)31-2)13(10-33-22(24)30)23(32-3)20-14(9-25(16)23)26(20)21(29)12-7-5-4-6-8-12/h4-8,13-14,20H,9-10H2,1-3H3,(H2,24,30)
InChI Key:
FZSXRPSZWFWVHG-UHFFFAOYSA-N
SMILES:
COC1=C(C)C(=O)C2=C(C1=O)C(COC(=O)N)C1(N2CC2C1N2C(=O)c1ccccc1)OC
NSC Number:
134722

Properties

Complexity:
1010  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
453.154g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
453.451g/mol
Monoisotopic Mass:
453.154g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
4  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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