Basic Searches
Searches without any special characters (listed below) will return items that contain the exact value(s) entered in the search field. This means that searching for "ASPIRIN CALCIUM" won't return any items that have "ASPIRIN GLYCINE CALCIUM" because the search term doesn't match exactly.
Boolean Operators
OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

AND - searches with terms separated by " AND " will return items that contain all the terms in the search.
Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.3.3
Substance Class Chemical
Record UNII
4SL9HWA66P
Record Status Validated (UNII)
Record Version
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Details

Stereochemistry ACHIRAL
Molecular Formula C5H9N3O10
Molecular Weight 271.1391
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0
Created by admin on Wed Apr 03 22:46:20 EDT 2019
Edited by admin on Wed Apr 03 22:46:20 EDT 2019
Structure of PENTRINITROL

Systematic Names:

  • None recorded
  • {{name}}

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
Name Type Language References
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  
Classification Tree Code System Code References
NCI_THESAURUS C29707
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
Code System Code Type Description References
NCI_THESAURUS
C91005
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
PRIMARY
CAS
1607-17-6
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
PRIMARY
ChEMBL
CHEMBL466660
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
PRIMARY
PUBCHEM
15353
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
PRIMARY SWITZERF
EVMPD
SUB09707MIG
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
PRIMARY
ECHA (EC/EINECS)
216-529-7
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
PRIMARY
MERCK INDEX
M8521
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
PRIMARY Merck Index
INN
3363
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
PRIMARY
MESH
C100210
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
PRIMARY
Related Record Type Details References
ACTIVE MOIETY
none
Mediator Substance Details
none
Created by admin on Wed Apr 03 22:46:20 EDT 2019 , Edited by admin on Wed Apr 03 22:46:20 EDT 2019
Note References
[Validation]WARNING:Must specify STN reference for CAS
Created Wed Apr 03 22:46:20 EDT 2019
Created By admin
Last Edited Wed Apr 03 22:46:20 EDT 2019
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed
1 D05430 KEGG NOMEN
2 KEGG 2011 SRS NOMEN
3 STN STN (SCIFINDER)
4 MERCK INDEX SRS NOMEN
5 INN 2010 SRS NOMEN
6 GSRS System-generated Validation messages VALIDATION_MESSAGE Wed Apr 03 22:46:20 EDT 2019
7 SYSTEM
8 USP DICTIONARY 2009 SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
9 MERCK INDEX MERCK INDEX NOMEN
10 WHO-DD SRS NOMEN
11 GSRS System-generated Validation messages VALIDATION_MESSAGE Wed Apr 03 22:46:20 EDT 2019
12 USP DICTIONARY SRS NOMEN
13 PENTRINITROL [USAN] SRS_LOCATOR
14 PENTRINITROL [INN] SRS_LOCATOR
15 PENTRINITROL [MI] SRS_LOCATOR
16 USP DICTIONARY 2011 SRS NOMEN
17 USP DICTIONARY 2010 SRS NOMEN
18 PENTRINITROL [WHO-DD] SRS_LOCATOR
19 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:27:49 EDT 2017
20 SRS import [4SL9HWA66P] SRS NOMEN Fri Apr 28 14:27:49 EDT 2017

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