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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H9N3O10
Molecular Weight 271.1391
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTRINITROL

SMILES

OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O

InChI

InChIKey=BRBAEHHXGZRCBK-UHFFFAOYSA-N
InChI=1S/C5H9N3O10/c9-1-5(2-16-6(10)11,3-17-7(12)13)4-18-8(14)15/h9H,1-4H2

HIDE SMILES / InChI

Molecular Formula C5H9N3O10
Molecular Weight 271.1391
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Mar 06 17:16:24 UTC 2018
Edited
by admin
on Tue Mar 06 17:16:24 UTC 2018
Record UNII
4SL9HWA66P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTRINITROL
INN   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
PETRIN
Brand Name English
PENTRINITROL [USAN]
Common Name English
PENTRINITROL [WHO-DD]
Common Name English
W 2197
Code English
PENTRINITROL [MI]
Common Name English
1,3-PROPANEDIOL, 2,2-BIS((NITROOXY)METHYL)-, MONONITRATE (ESTER)
Common Name English
PENTAERYTHRITOL TRINITRATE
Systematic Name English
W-2197
Code English
PENTRINITROL [INN]
Common Name English
Code System Code Type Description
NCI_THESAURUS
C91005
Created by admin on Tue Mar 06 17:16:24 UTC 2018 , Edited by admin on Tue Mar 06 17:16:24 UTC 2018
PRIMARY
CAS
1607-17-6
Created by admin on Tue Mar 06 17:16:24 UTC 2018 , Edited by admin on Tue Mar 06 17:16:24 UTC 2018
PRIMARY
ChEMBL
CHEMBL466660
Created by admin on Tue Mar 06 17:16:24 UTC 2018 , Edited by admin on Tue Mar 06 17:16:24 UTC 2018
PRIMARY
PUBCHEM
15353
Created by admin on Tue Mar 06 17:16:24 UTC 2018 , Edited by admin on Tue Mar 06 17:16:24 UTC 2018
PRIMARY SWITZERF
EVMPD
SUB09707MIG
Created by admin on Tue Mar 06 17:16:24 UTC 2018 , Edited by admin on Tue Mar 06 17:16:24 UTC 2018
PRIMARY
ECHA (EC/EINECS)
216-529-7
Created by admin on Tue Mar 06 17:16:24 UTC 2018 , Edited by admin on Tue Mar 06 17:16:24 UTC 2018
PRIMARY
MERCK INDEX
M8521
Created by admin on Tue Mar 06 17:16:24 UTC 2018 , Edited by admin on Tue Mar 06 17:16:24 UTC 2018
PRIMARY Merck Index
INN
3363
Created by admin on Tue Mar 06 17:16:24 UTC 2018 , Edited by admin on Tue Mar 06 17:16:24 UTC 2018
PRIMARY
MESH
C100210
Created by admin on Tue Mar 06 17:16:24 UTC 2018 , Edited by admin on Tue Mar 06 17:16:24 UTC 2018
PRIMARY
Related Record Type Details
ACTIVE MOIETY