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Details

Stereochemistry UNKNOWN
Molecular Formula C8H16N2O4
Molecular Weight 204.2236
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTABAMATE

SMILES

CC(OC(N)=O)C(C)C(C)OC(N)=O

InChI

InChIKey=XAIVVICFVUFHEP-UHFFFAOYSA-N
InChI=1S/C8H16N2O4/c1-4(5(2)13-7(9)11)6(3)14-8(10)12/h4-6H,1-3H3,(H2,9,11)(H2,10,12)

HIDE SMILES / InChI

Molecular Formula C8H16N2O4
Molecular Weight 204.2236
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:30:43 UTC 2023
Edited
by admin
on Fri Dec 15 16:30:43 UTC 2023
Record UNII
8871ZB4UGC
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENTABAMATE
INN   USAN  
USAN   INN  
Official Name English
PENTABAMATE [USAN]
Common Name English
pentabamate [INN]
Common Name English
3-METHYLPENTANE-2,4-DIYL DICARBAMATE
Systematic Name English
2,4-PENTANEDIOL, 3-METHYL-, DICARBAMATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C264
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C74165
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
PRIMARY
FDA UNII
8871ZB4UGC
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
PRIMARY
CAS
5667-70-9
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
PRIMARY
EVMPD
SUB09674MIG
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105353
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
PRIMARY
EPA CompTox
DTXSID20863593
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
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WIKIPEDIA
Pentabamate
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
PRIMARY
INN
1459
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
PRIMARY
SMS_ID
100000082504
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
PRIMARY
PUBCHEM
3047822
Created by admin on Fri Dec 15 16:30:43 UTC 2023 , Edited by admin on Fri Dec 15 16:30:43 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY