 Home > Encyclopedia > (20R,22S)-21-oxa-2-azahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23)-nonaene

(20R,22S)-21-oxa-2-azahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23)-nonaene

(20R,22S)-21-oxa-2-azahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23)-nonaene structure

CAS No:
93781-04-5
Formula:
C21H15NO
Chemical Name:
(20R,22S)-21-oxa-2-azahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23)-nonaene
Synonyms:
UNII-UU38O9QRKX;UU38O9QRKX;93781-04-5;(1ar)-1a,2,3,13c-tetrahydro-benz(c)oxireno(5,6)benz(1,2-H)acridine;CCRIS 8826;Benz(c)oxireno(5,6)benz(1,2-h)acridine, 1a,2,3,13c-tetrahydro-, (1aR)-;(-)-(1S,2R)-1,2-Epoxy-1,2,3,4-tetrahydrodibenz(c,h)acridine;(1aR)-1a,2,3,13c-Tetrahydrobenz(c)oxireno(5,6)benz(1,2-h)acridine;Q27291275;(1AR,13CS)-1A,2,3,13C-TETRAHYDROBENZ[C]OXIRENO[5,6]BENZ[1,2-H]ACRIDINE

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(20R,22S)-21-oxa-2-azahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23)-nonaene Basic Attributes

Molecular Weight：

297.3 g/mol

Exact Mass：

297.115364102 g/mol

UNII：

UU38O9QRKX

Characteristics

PSA：

25.4 Å²

XLogP3：

4.9273

Melting Point：

149 - 150 °C (petroleum ether)

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
MUTATION DATA	Mutation in microorganisms			20 nmol/L	--	Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 46,2760,1986
MUTATION DATA	Mutation in mammalian somatic cells			50 nmol/L	--	Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 46,2760,1986

Computed Properties

Molecular Weight:297.3
XLogP3:4.7
Hydrogen Bond Acceptor Count:2
Exact Mass:297.115364102
Monoisotopic Mass:297.115364102
Topological Polar Surface Area:25.4
Heavy Atom Count:23
Complexity:479
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

93716-18-8

93781-03-4

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Guide of (20R,22S)-21-oxa-2-azahexacyclo[12.9.0.03,12.04,9.017,23.020,22]tricosa-1(14),2,4,6,8,10,12,15,17(23)-nonaene

Basic Attributes
Characteristics
Toxicity
Computed Properties
Synthesis Route

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