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NA 0346

CAT: 0013-GTR19208155-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208155-03Size:100 mg
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Description
NA 0346
CAS Number
120925-61-3
Smiles
[H][C@]12C[C@] (O) (CN) [C@] (C) (O1) n1c3ccccc3c3c4CNC (=O) c4c4c5ccccc5n2c4c13
Molecular Formula
C26H22N4O3
Molecular Weight
438.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NA 0346

indolocarbazole; structure given in first source; SF 2370 derivative

CAS Number120925-61-3
PubChem CID14096318
IUPAC Name(15S,16S,18R)-16-(aminomethyl)-16-hydroxy-15-methyl-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one
Molecular FormulaC26H22N4O3
Molecular Weight438.5
XLogP1.9
Topological Polar Surface Area94.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count33
Formal Charge0
Complexity886
SMILES
C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(CN)O
InChI
InChI=1S/C26H22N4O3/c1-25-26(32,12-27)10-18(33-25)29-16-8-4-2-6-13(16)20-21-15(11-28-24(21)31)19-14-7-3-5-9-17(14)30(25)23(19)22(20)29/h2-9,18,32H,10-12,27H2,1H3,(H,28,31)/t18-,25+,26+/m1/s1
InChIKey
GAXOKIHBYAPTSY-LROUJFHJSA-N
Chemical Structure
2D Structure
2D structure of NA 0346
CAS: 120925-61-3
CID: 14096318
Formula: C26H22N4O3
MW: 438.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.5
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass438.16919058
Monoisotopic Mass438.16919058
Topological Polar Surface Area94.4 Ų
Heavy Atom Count33
Formal Charge0
Complexity886
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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