U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 2C7H8N4O2.C2H8N2.2H2O
Molecular Weight 456.4569
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMINOPHYLLINE DIHYDRATE

SMILES

O.O.NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.CN3C4=C(NC=N4)C(=O)N(C)C3=O

InChI

InChIKey=FXNJPZOEDHBGEY-UHFFFAOYSA-N
InChI=1S/2C7H8N4O2.C2H8N2.2H2O/c2*1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4;;/h2*3H,1-2H3,(H,8,9);1-4H2;2*1H2

HIDE SMILES / InChI
Molecular Formula H2O
Molecular Weight 18.0153
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
Molecular Formula C2H8N2
Molecular Weight 60.0983
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:26:26 UTC 2023
Edited
by admin
on Fri Dec 15 15:26:26 UTC 2023
Record UNII
C229N9DX94
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMINOPHYLLINE DIHYDRATE
VANDF   WHO-DD  
Common Name English
AMINOPHYLLINE DIHYDRATE [VANDF]
Common Name English
Aminophylline dihydrate [WHO-DD]
Common Name English
THEOPHYLLINE-ETHYLENEDIAMINE DIHYDRATE [EP MONOGRAPH]
Common Name English
THEOPHYLLINE-ETHYLENEDIAMINE HYDRATE
Common Name English
AMINOPHYLLINE DIHYDRATE [USP MONOGRAPH]
Common Name English
THEOPHYLLINE AND ETHYLENEDIAMINE HYDRATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C744
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
Code System Code Type Description
FDA UNII
C229N9DX94
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
SMS_ID
100000138849
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
RXCUI
1298965
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY RxNorm
PUBCHEM
20848874
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
EVMPD
SUB79199
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
CAS
5897-66-5
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
DRUG BANK
DBSALT001739
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
DAILYMED
C229N9DX94
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
NCI_THESAURUS
C76313
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
WIKIPEDIA
Aminophylline dihydrate
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
CAS
72487-55-9
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
NON-SPECIFIC STOICHIOMETRY
EPA CompTox
DTXSID50207709
Created by admin on Fri Dec 15 15:26:26 UTC 2023 , Edited by admin on Fri Dec 15 15:26:26 UTC 2023
PRIMARY
Related Record Type Details
Structure of Ethylenediamine
PARENT -> SALT/SOLVATE
Structure of THEOPHYLLINE ANHYDROUS
PARENT -> SALT/SOLVATE
Structure of AMINOPHYLLINE
ANHYDROUS->SOLVATE
Related Record Type Details
Structure of THEOPHYLLINE ANHYDROUS
ACTIVE MOIETY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966