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Details

Stereochemistry EPIMERIC
Molecular Formula C6H12O3
Molecular Weight 132.1577
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PARALDEHYDE

SMILES

C[C@H]1OC(C)O[C@@H](C)O1

InChI

InChIKey=SQYNKIJPMDEDEG-UHFFFAOYSA-N
InChI=1S/C6H12O3/c1-4-7-5(2)9-6(3)8-4/h4-6H,1-3H3

HIDE SMILES / InChI

Molecular Formula C6H12O3
Molecular Weight 132.1577
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 Fri Dec 15 16:40:18 UTC 2023
Edited
by admin
on Fri Dec 15 16:40:18 UTC 2023
Record UNII
S6M3YBG8QA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PARALDEHYDE
EP   FHFI   HSDB   MART.   MI   USP   VANDF   WHO-DD  
Common Name English
PARALDEHYDE [MART.]
Common Name English
1,3,5-TRIOXANE, 2,4,6-TRIMETHYL-
Systematic Name English
PARALDEHYDE [VANDF]
Common Name English
FEMA NO. 4010
Code English
PARALDEHYDE [EP MONOGRAPH]
Common Name English
PARAL
Brand Name English
2,4,6-Trimethyl-S-trioxane
Common Name English
NSC-9799
Code English
PARALDEHYDE [FHFI]
Brand Name English
Paraldehyde [WHO-DD]
Common Name English
PARACETALDEHYDE
Common Name English
PARALDEHYDE [HSDB]
Common Name English
PARALDEHYDE [USP MONOGRAPH]
Common Name English
PARALDEHYDE [MI]
Common Name English
PARALDEHYDE CIV [USP-RS]
Common Name English
Classification Tree Code System Code
DEA NO. 2585
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
WHO-ATC N05CC05
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
WHO-VATC QN05CC05
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
Code System Code Type Description
WIKIPEDIA
PARALDEHYDE
Created by admin on Fri Dec 15 16:40:19 UTC 2023 , Edited by admin on Fri Dec 15 16:40:19 UTC 2023
PRIMARY
CAS
26893-98-1
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
ALTERNATIVE
HSDB
3375
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
SMS_ID
100000079727
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
ECHA (EC/EINECS)
204-639-8
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
CAS
1499-02-1
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
ALTERNATIVE
RS_ITEM_NUM
1496959
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
MERCK INDEX
m8401
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY Merck Index
RXCUI
7909
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY RxNorm
EVMPD
SUB14774MIG
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
CAS
1423-82-1
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
ALTERNATIVE
MESH
D010242
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
CHEBI
27909
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
DRUG BANK
DB09117
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
FDA UNII
S6M3YBG8QA
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
PUBCHEM
31264
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
NSC
9799
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
CAS
123-63-7
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
ChEMBL
CHEMBL1410743
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID9023419
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
DRUG CENTRAL
2058
Created by admin on Fri Dec 15 16:40:18 UTC 2023 , Edited by admin on Fri Dec 15 16:40:18 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY