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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N4O2.C2H7NO
Molecular Weight 241.2471
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THEOPHYLLINE OLAMINE

SMILES

NCCO.CN1C2=C(N=CN2)C(=O)N(C)C1=O

InChI

InChIKey=DAAFJZUNCOXSKD-UHFFFAOYSA-N
InChI=1S/C7H8N4O2.C2H7NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);4H,1-3H2

HIDE SMILES / InChI
Molecular Formula C2H7NO
Molecular Weight 61.0831
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C7H8N4O2
Molecular Weight 180.164
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:01:19 UTC 2023
Edited
by admin
on Fri Dec 15 15:01:19 UTC 2023
Record UNII
9Z1S0O31SL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THEOPHYLLINE OLAMINE
Common Name English
THEOPHYLLINE MONOETHANOLAMINE
WHO-DD  
Systematic Name English
THEOPHYLLINE ETHANOLAMINE [MI]
Common Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 2-AMINOETHANOL (1:1)
Systematic Name English
Theophylline monoethanolamine [WHO-DD]
Common Name English
THEOPHYLLINE ETHANOLAMINE
MI  
Systematic Name English
Code System Code Type Description
MESH
C031059
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY
PUBCHEM
11311
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY
CAS
573-41-1
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY
FDA UNII
9Z1S0O31SL
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY
MERCK INDEX
m10706
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY Merck Index
SMS_ID
100000076969
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY
EVMPD
SUB15519MIG
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-355-8
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY
EPA CompTox
DTXSID40205916
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY
ChEMBL
CHEMBL190
Created by admin on Fri Dec 15 15:01:19 UTC 2023 , Edited by admin on Fri Dec 15 15:01:19 UTC 2023
PRIMARY
Related Record Type Details
Structure of THEOPHYLLINE ANHYDROUS
PARENT -> SALT/SOLVATE
Structure of MONOETHANOLAMINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of THEOPHYLLINE ANHYDROUS
ACTIVE MOIETY
NIH
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