U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C21H18N2O4
Molecular Weight 362.3786
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-AMINOORCEIN

SMILES

CC1=CC(=O)C=C2OC3=CC(N)=C(C(C)=C3N=C12)C4=C(O)C=C(O)C=C4C

InChI

InChIKey=NNZHGEUZKBYASA-UHFFFAOYSA-N
InChI=1S/C21H18N2O4/c1-9-4-12(24)6-15(26)18(9)19-11(3)21-17(8-14(19)22)27-16-7-13(25)5-10(2)20(16)23-21/h4-8,24,26H,22H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H18N2O4
Molecular Weight 362.3786
Charge 0
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 01:14:06 UTC 2023
Edited
by admin
on Sat Dec 16 01:14:06 UTC 2023
Record UNII
24ME8Z95KB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-AMINOORCEIN
Common Name English
ARDP-0009
Code English
7-AMINO-8-(2,4-DIHYDROXY-6-METHYLPHENYL)-1,9-DIMETHYL-3H-PHENOXAZIN-3-ONE
Systematic Name English
3H-PHENOXAZIN-3-ONE, 7-AMINO-8-(2,4-DIHYDROXY-6-METHYLPHENYL)-1,9-DIMETHYL-
Systematic Name English
Code System Code Type Description
CHEBI
90306
Created by admin on Sat Dec 16 01:14:06 UTC 2023 , Edited by admin on Sat Dec 16 01:14:06 UTC 2023
PRIMARY
FDA UNII
24ME8Z95KB
Created by admin on Sat Dec 16 01:14:06 UTC 2023 , Edited by admin on Sat Dec 16 01:14:06 UTC 2023
PRIMARY
CAS
642-61-5
Created by admin on Sat Dec 16 01:14:06 UTC 2023 , Edited by admin on Sat Dec 16 01:14:06 UTC 2023
PRIMARY
PUBCHEM
5036900
Created by admin on Sat Dec 16 01:14:06 UTC 2023 , Edited by admin on Sat Dec 16 01:14:06 UTC 2023
PRIMARY