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Details

Stereochemistry ACHIRAL
Molecular Formula C7H8N4O2.C4H11NO
Molecular Weight 269.3003
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of AMBUPHYLLINE

SMILES

CC(C)(N)CO.CN1C2=C(N=CN2)C(=O)N(C)C1=O

InChI

InChIKey=SEIRRUDMPNNSCY-UHFFFAOYSA-N
InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3

HIDE SMILES / InChI
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 C4H11NO
Molecular Weight 89.1362
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 15:35:20 UTC 2023
Edited
by admin
on Fri Dec 15 15:35:20 UTC 2023
Record UNII
VOU5V0B772
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
AMBUPHYLLINE
MI   USAN   WHO-DD  
USAN  
Official Name English
BUFYLLINE
MART.  
Common Name English
Ambuphylline [WHO-DD]
Common Name English
Theophylline compound with 2-amino-2-methyl-1-propanol (1:1)
Systematic Name English
AMBUPHYLLINE [USAN]
Common Name English
AMBUPHYLLINE [MI]
Common Name English
BUTAPHYLLAMINE
Brand Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 2-AMINO-2-METHYL-1-PROPANOL (1:1)
Systematic Name English
BUFYLLINE [MART.]
Common Name English
Classification Tree Code System Code
WHO-ATC R03DA10
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
WHO-VATC QR03DA10
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
NCI_THESAURUS C319
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
Code System Code Type Description
DRUG BANK
DB13812
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
EPA CompTox
DTXSID60204880
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
WIKIPEDIA
Ambuphylline
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
SMS_ID
100000077703
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
CAS
5634-34-4
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
EVMPD
SUB12843MIG
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
ECHA (EC/EINECS)
227-077-5
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
PUBCHEM
21850
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
MERCK INDEX
m554
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY Merck Index
DRUG CENTRAL
4426
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
FDA UNII
VOU5V0B772
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
MESH
C006485
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
ChEMBL
CHEMBL190
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
NCI_THESAURUS
C76572
Created by admin on Fri Dec 15 15:35:20 UTC 2023 , Edited by admin on Fri Dec 15 15:35:20 UTC 2023
PRIMARY
Related Record Type Details
Structure of THEOPHYLLINE ANHYDROUS
PARENT -> SALT/SOLVATE
Structure of AMINOMETHYLPROPANOL
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of THEOPHYLLINE ANHYDROUS
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