HOMOAEROTHIONIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H28Br4N4O8
Molecular Weight	832.128
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(Br)[C@H](O)[C@]2(CC(=NO2)C(=O)NCCCCCNC(=O)C3=NO[C@@]4(C3)C=C(Br)C(OC)=C(Br)[C@@H]4O)C=C1Br

InChI

InChIKey=UXPNMQCEVMBCIR-KXTAGPOFSA-N

InChI=1S/C25H28Br4N4O8/c1-38-18-12(26)8-24(20(34)16(18)28)10-14(32-40-24)22(36)30-6-4-3-5-7-31-23(37)15-11-25(41-33-15)9-13(27)19(39-2)17(29)21(25)35/h8-9,20-21,34-35H,3-7,10-11H2,1-2H3,(H,30,36)(H,31,37)/t20-,21-,24+,25+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H28Br4N4O8
Molecular Weight	832.128
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 19:47:29 GMT 2025` Edited by `admin` on `Tue Apr 01 19:47:29 GMT 2025`
Record UNII	0UB53Q9KMI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-288041

Preferred Name

English

HOMOAEROTHIONIN

Common Name

English

(5S,5'S,10R,10'R)-N,N'-1,5-PENTANEDIYLBIS(7,9-DIBROMO-10-HYDROXY-8-METHOXY-1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE)

Systematic Name

English

1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE, N,N'-1,5-PENTANEDIYLBIS(7,9-DIBROMO-10-HYDROXY-8-METHOXY-, (5S-(5.ALPHA.(5'R*,10'S*),10.BETA.))-

Systematic Name

English

1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE, N,N'-1,5-PENTANEDIYLBIS(7,9-DIBROMO-10-HYDROXY-8-METHOXY-, (5S,5'S,10R,10'R)-

Systematic Name

English

HOMOEROTHIONIN

Common Name

English

HOMOAEROTHIONINE

Common Name

English

1-OXA-2-AZASPIRO(4.5)DECA-2,6,8-TRIENE-3-CARBOXAMIDE, N,N'-PENTAMETHYLENEBIS(7,9-DIBROMO-10-HYDROXY-8-METHOXY-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID90955777