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Details

Stereochemistry ACHIRAL
Molecular Formula C14H14N6O2.C2H4O2
Molecular Weight 358.3519
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of Resomelagon acetate

SMILES

CC(O)=O.NC(=N)N\N=C\C=C\C1=CC=CN1C2=C(C=CC=C2)[N+]([O-])=O

InChI

InChIKey=FIESOFUABUPMMH-WAJHRQJSSA-N
InChI=1S/C14H14N6O2.C2H4O2/c15-14(16)18-17-9-3-5-11-6-4-10-19(11)12-7-1-2-8-13(12)20(21)22;1-2(3)4/h1-10H,(H4,15,16,18);1H3,(H,3,4)/b5-3+,17-9+;

HIDE SMILES / InChI

Molecular Formula C2H4O2
Molecular Weight 60.052
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H14N6O2
Molecular Weight 298.3
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:29:29 GMT 2023
Edited
by admin
on Sat Dec 16 19:29:29 GMT 2023
Record UNII
Q86AZ6S47M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Resomelagon acetate
INN  
Common Name English
AP1189
Code English
Hydrazinecarboximidamide, 2-[(2E)-3-[1-(2-nitrophenyl)-1H-pyrrol-2-yl]-2-propen-1-ylidene]-, acetate (1:1), (2E)-
Systematic Name English
AP-1189
Code English
Code System Code Type Description
FDA UNII
Q86AZ6S47M
Created by admin on Sat Dec 16 19:29:29 GMT 2023 , Edited by admin on Sat Dec 16 19:29:29 GMT 2023
PRIMARY
CAS
1809420-72-1
Created by admin on Sat Dec 16 19:29:29 GMT 2023 , Edited by admin on Sat Dec 16 19:29:29 GMT 2023
PRIMARY
SMS_ID
300000042408
Created by admin on Sat Dec 16 19:29:29 GMT 2023 , Edited by admin on Sat Dec 16 19:29:29 GMT 2023
PRIMARY
CAS
959850-74-9
Created by admin on Sat Dec 16 19:29:29 GMT 2023 , Edited by admin on Sat Dec 16 19:29:29 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
140564056
Created by admin on Sat Dec 16 19:29:29 GMT 2023 , Edited by admin on Sat Dec 16 19:29:29 GMT 2023
PRIMARY
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ACTIVE MOIETY