 Home > Encyclopedia > (1R,3R)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile

(1R,3R)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile

(1R,3R)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile structure

CAS No:
152053-14-0
Formula:
C21H24N4O5
Chemical Name:
(1R,3R)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile
Synonyms:
cyanocycline B;152053-14-0;DTXSID80934410;4,6-Methano-5H-benz(h)oxazolo(3,2-a)pyrazino(3,2,1-de)(1,5)naphthyridine-7-carbonitrile, 1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-9-(hydroxymethyl)-11-methoxy-12-methyl-10,13-dioxo-, (3aS-(3aalpha,4alpha,4abeta,6alpha,7beta,9alpha,13bbeta,13cbeta))-;9-(Hydroxymethyl)-11-methoxy-12-methyl-10,13-dioxo-1,2,3a,4,4a,6,7,9,10,13,13b,13c-dodecahydro-5H-4,6-methanobenzo[h][1,3]oxazolo[3,2-a]pyrazino[3,2,1-de][1,5]naphthyridine-7-carbonitrile

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(1R,3R)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile Basic Attributes

Molecular Weight：

412.4 g/mol

Exact Mass：

412.17466988 g/mol

Characteristics

PSA：

115 Å²

Drug Information

MeSH Entry Terms：

cyanocycline B

Computed Properties

Molecular Weight:412.4
XLogP3:-1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:2
Exact Mass:412.17466988
Monoisotopic Mass:412.17466988
Topological Polar Surface Area:115
Heavy Atom Count:30
Complexity:979
Defined Atom Stereocenter Count:2
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Hot Searches: fragmin; methyl alcohol structure; drotaverine; vinyl benzene; ethyl sulfate; oxycycline

Guide of (1R,3R)-16-(hydroxymethyl)-13-methoxy-12-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile

Basic Attributes
Characteristics
Drug Information
Computed Properties

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