Azatoxin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H20N2O5
Molecular Weight	380.3939
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12COC(=O)N1[C@@H](C3=C(C2)C4=CC=CC=C4N3)C5=CC(OC)=C(O)C(OC)=C5

InChI

InChIKey=MIXLRUYCYZPSOQ-HXPMCKFVSA-N

InChI=1S/C21H20N2O5/c1-26-16-7-11(8-17(27-2)20(16)24)19-18-14(9-12-10-28-21(25)23(12)19)13-5-3-4-6-15(13)22-18/h3-8,12,19,22,24H,9-10H2,1-2H3/t12-,19+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H20N2O5
Molecular Weight	380.3939
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:59:16 GMT 2023` Edited by `admin` on `Sat Dec 16 08:59:16 GMT 2023`
Record UNII	BT2674SA3S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Azatoxin

Common Name

English

NSC-640737

Code

English

1H,3H-OXAZOLO(3',4':1,6)PYRIDO(3,4-B)INDOL-3-ONE, 5,6,11,11A-TETRAHYDRO-5-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-, (5R-CIS)-

Common Name

English

1H,3H-Oxazolo[3′,4′:1,6]pyrido[3,4-b]indol-3-one, 5,6,11,11a-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-, (5R,11aS)-

Systematic Name

English

(5R,11aS)-5,6,11,11a-Tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-1H,3H-oxazolo[3′,4′:1,6]pyrido[3,4-b]indol-3-one

Systematic Name

English

Code System Code Type Description

NSC

640737