NIDURUFIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H16O8
Molecular Weight	384.3362
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H](O)[C@H](O1)C3=C(O)C4=C(C=C3O2)C(=O)C5=C(C(O)=CC(O)=C5)C4=O

InChI

InChIKey=JJXUKZWOMSARJK-HLKJPOBBSA-N

InChI=1S/C20H16O8/c1-20-3-2-10(22)19(28-20)15-12(27-20)6-9-14(18(15)26)17(25)13-8(16(9)24)4-7(21)5-11(13)23/h4-6,10,19,21-23,26H,2-3H2,1H3/t10-,19?,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H16O8
Molecular Weight	384.3362
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 17:37:21 GMT 2025` Edited by `admin` on `Tue Apr 01 17:37:21 GMT 2025`
Record UNII	HD19P3267B
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NIDURUFIN

Common Name

English

NIDURUFIN, (+)-

Preferred Name

English

(2S,5S,6R)-3,4,5,6-TETRAHYDRO-5,7,9,11-TETRAHYDROXY-2-METHYL-2,6-EPOXY-2H-ANTHRA(2,3-B)OXOCIN-8,13-DIONE

Systematic Name

English

2,6-EPOXY-2H-ANTHRA(2,3-B)OXOCIN-8,13-DIONE, 3,4,5,6-TETRAHYDRO-5,7,9,11-TETRAHYDROXY-2-METHYL-, (2S-(2.ALPHA.,5.ALPHA.,6.ALPHA.))-

Systematic Name

English

Code System Code Type Description

PUBCHEM

50937035

Created by admin on Tue Apr 01 17:37:21 GMT 2025 , Edited by admin on Tue Apr 01 17:37:21 GMT 2025

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FDA UNII

HD19P3267B

Created by admin on Tue Apr 01 17:37:21 GMT 2025 , Edited by admin on Tue Apr 01 17:37:21 GMT 2025

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EPA CompTox

DTXSID00951104

Created by admin on Tue Apr 01 17:37:21 GMT 2025 , Edited by admin on Tue Apr 01 17:37:21 GMT 2025

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CAS

28458-23-3

Created by admin on Tue Apr 01 17:37:21 GMT 2025 , Edited by admin on Tue Apr 01 17:37:21 GMT 2025

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