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Details

Stereochemistry ACHIRAL
Molecular Formula C5H11NO2.C2H3Cl3O2
Molecular Weight 282.549
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLORAL BETAINE

SMILES

OC(O)C(Cl)(Cl)Cl.C[N+](C)(C)CC([O-])=O

InChI

InChIKey=ONAOIDNSINNZOA-UHFFFAOYSA-N
InChI=1S/C5H11NO2.C2H3Cl3O2/c1-6(2,3)4-5(7)8;3-2(4,5)1(6)7/h4H2,1-3H3;1,6-7H

HIDE SMILES / InChI
Molecular Formula C5H12NO2
Molecular Weight 118.1543
Charge 1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C2H2Cl3O2
Molecular Weight 164.395
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:39:45 UTC 2023
Edited
by admin
on Fri Dec 15 16:39:45 UTC 2023
Record UNII
8680278NRH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLORAL BETAINE
MI   USAN  
USAN  
Official Name English
METHANAMINIUM, 1-CARBOXY-N,N,N-TRIMETHYL-, HYDROXIDE, INNER SALT, COMPD. WITH 2,2,2-TRICHLORO-1,1-ETHANEDIOL (1:1)
Common Name English
CHLORAL BETAINE [MI]
Common Name English
5107
Code English
Chloral hydrate betaine (1:1) compound
Common Name English
CLORAL BETAINE [MART.]
Common Name English
CLORAL BETAINE
INN   MART.   WHO-DD  
INN  
Official Name English
cloral betaine [INN]
Common Name English
CHLORAL BETAINE [USAN]
Common Name English
Cloral betaine [WHO-DD]
Common Name English
Classification Tree Code System Code
DEA NO. 2460
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
Code System Code Type Description
EVMPD
SUB06750MIG
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
RXCUI
89808
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY RxNorm
INN
1506
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
ECHA (EC/EINECS)
218-722-1
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
DRUG BANK
DB01494
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
CAS
2218-68-0
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID20176716
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
MERCK INDEX
m633
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C171896
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
SMS_ID
100000085429
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
PUBCHEM
16676
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
FDA UNII
8680278NRH
Created by admin on Fri Dec 15 16:39:45 UTC 2023 , Edited by admin on Fri Dec 15 16:39:45 UTC 2023
PRIMARY
Related Record Type Details
Structure of Chloral hydrate
PARENT -> SALT/SOLVATE
Structure of BETAINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of Chloral hydrate
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