 Home > Encyclopedia > (15S,16S,18S)-16-hydroxy-15-methyl-16-(methylaminomethyl)-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

(15S,16S,18S)-16-hydroxy-15-methyl-16-(methylaminomethyl)-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

(15S,16S,18S)-16-hydroxy-15-methyl-16-(methylaminomethyl)-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 structure

CAS No:
120925-60-2
Formula:
C27H24N4O3
Chemical Name:
(15S,16S,18S)-16-hydroxy-15-methyl-16-(methylaminomethyl)-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
Synonyms:
NA 0345;NA-0345;NA0345;120925-60-2;NA-0345;NA 0345;DTXSID40923608;NA0345;8-Methyl-7-[(methylamino)methyl]-5,6,7,8-tetrahydro-13H-5,8-epoxy-4b,8a,14-triazadibenzo[b,h]cycloocta[1,2,3,4-jkl]cyclopenta[e]-as-indacene-7,15-diol;9,12-Epoxy-1H-diindolo(1,2,3-fg:3',2',1'-kl)pyrrolo(3,4-i)(1,6)benzodiazocin-1-one, 2,3,9,10,11,12-hexahydro-10-hydroxy-9-methyl-10-((methylamino)methyl)-, (9S-(9alpha,10beta,12alpha))-

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(15S,16S,18S)-16-hydroxy-15-methyl-16-(methylaminomethyl)-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 Basic Attributes

Molecular Weight：

452.5 g/mol

Exact Mass：

452.18484064 g/mol

Characteristics

PSA：

80.4 Å²

Drug Information

MeSH Entry Terms：

NA 0345

Computed Properties

Molecular Weight:452.5
XLogP3:2.5
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:452.18484064
Monoisotopic Mass:452.18484064
Topological Polar Surface Area:80.4
Heavy Atom Count:34
Complexity:901
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (15S,16S,18S)-16-hydroxy-15-methyl-16-(methylaminomethyl)-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

Basic Attributes
Characteristics
Drug Information
Computed Properties

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