 Home > Encyclopedia > 18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-28-propyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone

18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-28-propyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone

18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-28-propyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone structure

CAS No:
20750-72-5
Formula:
C34H46N8O9S
Chemical Name:
18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-28-propyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone
Synonyms:
norphalloin;Norphalloine;Norphalloin;BRN 3027998;cyclic(L-Alanyl-D-threonyl-L-cysteinyl-cis-4-hydroxy-L-prolyl-L-alanyl-2-mercapto-L-tryptophyl-L-norvalyl) cyclic (3-6)-sulfide;20750-72-5

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18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-28-propyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone Basic Attributes

Molecular Weight：

742.8 g/mol

Exact Mass：

742.31084625 g/mol

Characteristics

PSA：

277 Å²

XLogP3：

-0.1683

Toxicity

Name	Type of Test	Exposure Route	Species Observed	Dose/Duration	Toxic Effects	Reference
ACUTE TOXICITY DATA	LD50 - Lethal dose, 50 percent kill	Intraperitoneal	Rodent - mouse	2 mg/kg	Details of toxic effects not reported other than lethal dose value--	CRC Critical Reviews in Biochemistry. (CRC Press, Inc., 2000 Corporate Blvd., NW, Boca Raton, FL 33431) V.1- 1972- Volume(issue)/page/year: 5,185,1978

Drug Information

MeSH Entry Terms：

norphalloin

Computed Properties

Molecular Weight:742.8
XLogP3:0.3
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:742.31084625
Monoisotopic Mass:742.31084625
Topological Polar Surface Area:277
Heavy Atom Count:52
Complexity:1400
Undefined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 18-hydroxy-34-(1-hydroxyethyl)-23,31-dimethyl-28-propyl-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraene-15,21,24,26,29,32,35-heptone

Basic Attributes
Characteristics
Toxicity
Drug Information
Computed Properties

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