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Details

Stereochemistry ABSOLUTE
Molecular Formula 3C12H19N2O2.Fe
Molecular Weight 725.719
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FERRIASPERGILLIN

SMILES

[Fe+3].CC[C@H](C)C1=CN=C(CC(C)C)C(=O)N1[O-].CC[C@H](C)C2=CN=C(CC(C)C)C(=O)N2[O-].CC[C@H](C)C3=CN=C(CC(C)C)C(=O)N3[O-]

InChI

InChIKey=HAUIRJAWJAAVNM-SRSGEWSGSA-N
InChI=1S/3C12H19N2O2.Fe/c3*1-5-9(4)11-7-13-10(6-8(2)3)12(15)14(11)16;/h3*7-9H,5-6H2,1-4H3;/q3*-1;+3/t3*9-;/m000./s1

HIDE SMILES / InChI

Molecular Formula C12H19N2O2
Molecular Weight 223.2915
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula Fe
Molecular Weight 55.845
Charge 3
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:14:40 UTC 2023
Edited
by admin
on Sat Dec 16 10:14:40 UTC 2023
Record UNII
Q01H53YHVQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FERRIASPERGILLIN
Common Name English
IRON, TRIS(1-HYDROXY-6-(1-METHYLPROPYL)-3-(2-METHYLPROPYL)-2(1H)-PYRAZINONATO-O,O')-
Systematic Name English
2(1H)-PYRAZINONE, 1-HYDROXY-6-(1-METHYLPROPYL)-3-(2-METHYLPROPYL)-, IRON COMPLEX, (+)-
Systematic Name English
Code System Code Type Description
PUBCHEM
155491209
Created by admin on Sat Dec 16 10:14:40 UTC 2023 , Edited by admin on Sat Dec 16 10:14:40 UTC 2023
PRIMARY
FDA UNII
Q01H53YHVQ
Created by admin on Sat Dec 16 10:14:40 UTC 2023 , Edited by admin on Sat Dec 16 10:14:40 UTC 2023
PRIMARY
CAS
77423-90-6
Created by admin on Sat Dec 16 10:14:40 UTC 2023 , Edited by admin on Sat Dec 16 10:14:40 UTC 2023
PRIMARY