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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H17Br2N5O4
Molecular Weight 491.135
Optical Activity ( - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pseudoceratinin A

SMILES

COC1=C(Br)[C@@H](O)[C@@]2(CC(=NO2)C(=O)NCCC3=CN=C(N)N3)C=C1Br

InChI

InChIKey=NBOVGEUANNHLCZ-DOMZBBRYSA-N
InChI=1S/C15H17Br2N5O4/c1-25-11-8(16)4-15(12(23)10(11)17)5-9(22-26-15)13(24)19-3-2-7-6-20-14(18)21-7/h4,6,12,23H,2-3,5H2,1H3,(H,19,24)(H3,18,20,21)/t12-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H17Br2N5O4
Molecular Weight 491.135
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:19:52 GMT 2025
Edited
by admin
on Mon Mar 31 23:19:52 GMT 2025
Record UNII
UZ8GYY4ZHX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-Pseudoceratinine A
Preferred Name English
Pseudoceratinin A
Common Name English
(5R,10S)-N-[2-(2-Amino-1H-imidazol-5-yl)ethyl]-7,9-dibromo-10-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide
Systematic Name English
Pseudoceratine
Common Name English
1-Oxa-2-azaspiro[4.5]deca-2,6,8-triene-3-carboxamide, N-[2-(2-amino-1H-imidazol-5-yl)ethyl]-7,9-dibromo-10-hydroxy-8-methoxy-, (5R,10S)-
Systematic Name English
Code System Code Type Description
CAS
344362-49-8
Created by admin on Mon Mar 31 23:19:52 GMT 2025 , Edited by admin on Mon Mar 31 23:19:52 GMT 2025
PRIMARY
PUBCHEM
10672719
Created by admin on Mon Mar 31 23:19:52 GMT 2025 , Edited by admin on Mon Mar 31 23:19:52 GMT 2025
PRIMARY
EPA CompTox
DTXSID80938195
Created by admin on Mon Mar 31 23:19:52 GMT 2025 , Edited by admin on Mon Mar 31 23:19:52 GMT 2025
PRIMARY
FDA UNII
UZ8GYY4ZHX
Created by admin on Mon Mar 31 23:19:52 GMT 2025 , Edited by admin on Mon Mar 31 23:19:52 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> ENANTIOMER