 Home > Encyclopedia > (18R,19S,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-18,19-diol

(18R,19S,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-18,19-diol

(18R,19S,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-18,19-diol structure

CAS No:
93780-98-4
Formula:
C21H15NO3
Chemical Name:
(18R,19S,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-18,19-diol
Synonyms:
UNII-ZTD2T2KGSU;ZTD2T2KGSU;(1S,2R,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrodibenz(c,h)acridine;93780-98-4;CCRIS 2355;(1S,2R,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(c,h)acridine;[1S,2R,3S,4R]-3,4-DIHYDROXY-1,2-EPOXY-1,2,3,4-TETRAHYDROBENZ[C,H]ACRIDINE;Benz(c)oxireno(5,6)benz(1,2-h)acridine-2,3-diol, 1a,2,3,13c-tetrahydro-, (1aR-(1a-alpha,2-alpha,3-beta,13c-alpha))-;Q27295877;(1S,2R,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrodibenzo[c,h]acridine

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(18R,19S,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-18,19-diol Basic Attributes

Molecular Weight：

329.3 g/mol

Exact Mass：

329.10519334 g/mol

UNII：

ZTD2T2KGSU

Characteristics

PSA：

65.9 Å²

XLogP3：

3.389

Melting Point：

198 - 200 °C

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
MUTATION DATA	Mutation in microorganisms			200 pmol/plate	--	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			400 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:329.3
XLogP3:2.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Exact Mass:329.10519334
Monoisotopic Mass:329.10519334
Topological Polar Surface Area:65.9
Heavy Atom Count:25
Complexity:541
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

93716-06-4

93780-98-4

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Guide of (18R,19S,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-18,19-diol

Basic Attributes
Characteristics
Toxicity
Computed Properties
Synthesis Route

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