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Details

Stereochemistry ACHIRAL
Molecular Formula C17H21NO.C6H8O7
Molecular Weight 447.4783
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PHENYLTOLOXAMINE CITRATE

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC1=C(CC2=CC=CC=C2)C=CC=C1

InChI

InChIKey=ZZYHCCDMBJTROG-UHFFFAOYSA-N
InChI=1S/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI
Molecular Formula C6H8O7
Molecular Weight 192.1235
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C17H21NO
Molecular Weight 255.3547
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 16:18:18 UTC 2023
Edited
by admin
on Fri Dec 15 16:18:18 UTC 2023
Record UNII
8UE48MJH8M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PHENYLTOLOXAMINE CITRATE
MART.   USP   USP-RS   VANDF   WHO-DD  
Common Name English
PHENYLTOLOXAMINE CITRATE [USP MONOGRAPH]
Common Name English
PHENYLTOLOXAMINE CITRATE [MART.]
Common Name English
Phenyltoloxamine citrate [WHO-DD]
Common Name English
NSC-169860
Code English
N,N-DIMETHYL-2-(.ALPHA.-PHENYL-O-TOLYLOXY)ETHYLAMINE, CITRATE (1:1) SALT
Common Name English
PHENYLTOLOXAMINE DIHYDROGEN CITRATE
MI   VANDF  
Common Name English
PHENYLTOLOXAMINE CITRATE [USP-RS]
Common Name English
2-(2-Dimethylaminoethoxy)diphenylmethane, citrate (1:1) salt
Common Name English
PHENYLTOLOXAMINE DIHYDROGEN CITRATE [VANDF]
Common Name English
PHENYLTOLOXAMINE CITRATE [VANDF]
Common Name English
PHENYLTOLOXAMINE DIHYDROGEN CITRATE [MI]
Common Name English
N,N-DIMETHYL-(A-PHENYL-O-TOLOXY) ETHYLAMINE DIHYDROGEN CITRATE
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
CFR 21 CFR 310.201
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
Code System Code Type Description
FDA UNII
8UE48MJH8M
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
PUBCHEM
14440
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
SMS_ID
100000085281
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
RS_ITEM_NUM
1534402
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
ECHA (EC/EINECS)
214-644-7
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
CAS
1176-08-5
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
DRUG BANK
DBSALT001531
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
NSC
169860
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID5047790
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
DAILYMED
8UE48MJH8M
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
RXCUI
221141
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY RxNorm
EVMPD
SUB03784MIG
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
NCI_THESAURUS
C82275
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
MERCK INDEX
m8695
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL186720
Created by admin on Fri Dec 15 16:18:18 UTC 2023 , Edited by admin on Fri Dec 15 16:18:18 UTC 2023
PRIMARY
Related Record Type Details
Structure of ANHYDROUS CITRIC ACID
PARENT -> SALT/SOLVATE
Structure of PHENYLTOLOXAMINE
PARENT -> SALT/SOLVATE
Related Record Type Details
Structure of PHENYLTOLOXAMINE
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