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

Details

Stereochemistry RACEMIC
Molecular Formula C10H15N3O2
Molecular Weight 209.245
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL

SMILES

CN(CCCC(O)C1=CC=CN=C1)N=O

InChI

InChIKey=OGRXKBUCZFFSTL-UHFFFAOYSA-N
InChI=1S/C10H15N3O2/c1-13(12-15)7-3-5-10(14)9-4-2-6-11-8-9/h2,4,6,8,10,14H,3,5,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H15N3O2
Molecular Weight 209.245
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:16:39 UTC 2023
Edited
by admin
on Sat Dec 16 09:16:39 UTC 2023
Record UNII
EN7PIX794W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(METHYLNITROSAMINO)-1-(3-PYRIDYL)-1-BUTANOL
Common Name English
.ALPHA.-(3-(METHYLNITROSOAMINO)PROPYL)-3-PYRIDINEMETHANOL
Systematic Name English
NNAL, (±)-
Common Name English
(±)-NNAL
Common Name English
4-(N-METHYL-N-NITROSAMINO)-1-(3-PYRIDYL)BUTAN-1-OL
Common Name English
3-PYRIDINEMETHANOL, .ALPHA.-(3-(METHYLNITROSOAMINO)PROPYL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C45398
Created by admin on Sat Dec 16 09:16:39 UTC 2023 , Edited by admin on Sat Dec 16 09:16:39 UTC 2023
Code System Code Type Description
PUBCHEM
104856
Created by admin on Sat Dec 16 09:16:39 UTC 2023 , Edited by admin on Sat Dec 16 09:16:39 UTC 2023
PRIMARY
FDA UNII
EN7PIX794W
Created by admin on Sat Dec 16 09:16:39 UTC 2023 , Edited by admin on Sat Dec 16 09:16:39 UTC 2023
PRIMARY
EPA CompTox
DTXSID8020880
Created by admin on Sat Dec 16 09:16:39 UTC 2023 , Edited by admin on Sat Dec 16 09:16:39 UTC 2023
PRIMARY
NCI_THESAURUS
C127127
Created by admin on Sat Dec 16 09:16:39 UTC 2023 , Edited by admin on Sat Dec 16 09:16:39 UTC 2023
PRIMARY
CAS
76014-81-8
Created by admin on Sat Dec 16 09:16:39 UTC 2023 , Edited by admin on Sat Dec 16 09:16:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE TOXIC