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I-CBP112

I-CBP112 structure

I-CBP112 

structure
  • CAS No:

    1640282-31-0

  • Formula:

    C27H36N2O5

  • Chemical Name:

    I-CBP112

  • Synonyms:

    I-CBP112;1-[7-(3,4-Dimethoxyphenyl)-9-[[(3S)-1-methylpiperidin-3-yl]methoxy]-2,3,4,5-tetrahydro-1,4-benzoxazepin-4-yl]propan-1-one;I-CBP112, 1640282-31-0;I-CBP112 hydrochloride;I-CBP112, >98%;I-CBP112, >98%;I-CBP112; I-CBP-112; I-CBP 112;CS-2420

I-CBP112 Basic Attributes

468.59

468.26242225

Characteristics

1.129±0.06 g/cm3

623.5±55.0 °C(Predicted)

9.07±0.10

Safety Information

UN 3077 9 / PGIII

3

Drug Information

1-(7-(3,4-Dimethoxyphenyl)-9-(((3S)-1-methyl-3-piperidinyl)methoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl)-1-propanone

Computed Properties

Molecular Weight:468.6
XLogP3:3.8
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:468.26242225
Monoisotopic Mass:468.26242225
Topological Polar Surface Area:60.5
Heavy Atom Count:34
Complexity:649
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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