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Details

Stereochemistry ACHIRAL
Molecular Formula C7H7N4O2.C5H14NO
Molecular Weight 283.3268
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of OXTRIPHYLLINE

SMILES

C[N+](C)(C)CCO.CN1C2=C(N=C[N-]2)C(=O)N(C)C1=O

InChI

InChIKey=RLANKEDHRWMNRO-UHFFFAOYSA-M
InChI=1S/C7H8N4O2.C5H14NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-6(2,3)4-5-7/h3H,1-2H3,(H,8,9,12);7H,4-5H2,1-3H3/q;+1/p-1

HIDE SMILES / InChI
Molecular Formula C5H13NO
Molecular Weight 103.1628
Charge 0
Count
Stereochemistry RACEMIC
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
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:02:52 UTC 2023
Edited
by admin
on Fri Dec 15 15:02:52 UTC 2023
Record UNII
3K045XR58X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OXTRIPHYLLINE
ORANGE BOOK   USP   USP-RS   VANDF  
Common Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH 3,9-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE (1:1)
Systematic Name English
CHOLINOPHYLLIN
Common Name English
CHOLINE THEOPHYLLINE [JAN]
Common Name English
ETHANAMINIUM, 2-HYDROXY-N,N,N-TRIMETHYL-, SALT WITH 3,7-DIHYDRO-1,3-DIMETHYL-1H-PURINE-2,6-DIONE
Common Name English
Choline salt with theophylline (1:1)
Common Name English
OXTRIPHYLLINE [ORANGE BOOK]
Common Name English
CHOLINE THEOPHYLLINATE [MART.]
Common Name English
OXTRIPHYLLINE [USP MONOGRAPH]
Common Name English
CHOLEDYL
Brand Name English
CHOLINE THEOPHYLLINATE [MI]
Common Name English
OXTRIPHYLLINE [USP-RS]
Common Name English
THEOCOLIN
Brand Name English
OXTRIPHYLLINE [VANDF]
Common Name English
Choline theophyllinate [WHO-DD]
Common Name English
CHOLINE THEOPHYLLINATE
INN   MART.   MI   WHO-DD  
INN  
Official Name English
NSC-760431
Code English
CHOLINE THEOPHYLLINE
JAN  
Systematic Name English
choline theophyllinate [INN]
Common Name English
Classification Tree Code System Code
WHO-VATC QR03DA02
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
WHO-VATC QR03DB02
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
LIVERTOX 204
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
WHO-ATC R03DA02
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
WHO-ATC R03DB02
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
NCI_THESAURUS C744
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
NCI_THESAURUS C319
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
Code System Code Type Description
INN
757
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
RS_ITEM_NUM
1484009
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
FDA UNII
3K045XR58X
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
WIKIPEDIA
Choline theophyllinate
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
DRUG CENTRAL
4390
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
MERCK INDEX
m3485
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY Merck Index
EVMPD
SUB06220MIG
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
DRUG BANK
DB01303
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
RXCUI
20976
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY RxNorm
NCI_THESAURUS
C47645
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
MESH
C012839
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
ECHA (EC/EINECS)
224-798-7
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
EPA CompTox
DTXSID20894867
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
CAS
4499-40-5
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
NSC
760431
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
SMS_ID
100000086564
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
ChEMBL
CHEMBL190
Created by admin on Fri Dec 15 15:02:52 UTC 2023 , Edited by admin on Fri Dec 15 15:02:52 UTC 2023
PRIMARY
Related Record Type Details
Structure of CHOLINE
PARENT -> SALT/SOLVATE
Structure of THEOPHYLLINE ANHYDROUS
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of THEOPHYLLINE ANHYDROUS
ACTIVE MOIETY
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