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Details

Stereochemistry ACHIRAL
Molecular Formula C23H26NO3.Br
Molecular Weight 444.361
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRANTELINIUM BROMIDE

SMILES

[Br-].C[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C3C4=CC=CC=C4OC5=C3C=CC=C5

InChI

InChIKey=TYLUYQCKBXQXDS-NKZMMAGSSA-M
InChI=1S/C23H26NO3.BrH/c1-24(2)15-11-12-16(24)14-17(13-15)26-23(25)22-18-7-3-5-9-20(18)27-21-10-6-4-8-19(21)22;/h3-10,15-17,22H,11-14H2,1-2H3;1H/q+1;/p-1/t15-,16+,17+;

HIDE SMILES / InChI

Molecular Formula C23H26NO3
Molecular Weight 364.4574
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 2 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

PubMed

PubMed

TitleDatePubMed
Clinicopharmacological study of Gastrixon.
1970
[Stability test for trantelinium bromide].
1972 Jul
[The effect of organic phosphoric esters on the experimental peptic ulcer (author's transl)].
1978 Dec
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:49:58 GMT 2023
Edited
by admin
on Fri Dec 15 15:49:58 GMT 2023
Record UNII
PU7ZDE4YHZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRANTELINIUM BROMIDE
INN  
INN  
Official Name English
trantelinium bromide [INN]
Common Name English
8-METHYLTROPINIUM BROMIDE XANTHENE-9-CARBOXYLATE
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C29701
Created by admin on Fri Dec 15 15:49:58 GMT 2023 , Edited by admin on Fri Dec 15 15:49:58 GMT 2023
Code System Code Type Description
FDA UNII
PU7ZDE4YHZ
Created by admin on Fri Dec 15 15:49:58 GMT 2023 , Edited by admin on Fri Dec 15 15:49:58 GMT 2023
PRIMARY
INN
2972
Created by admin on Fri Dec 15 15:49:58 GMT 2023 , Edited by admin on Fri Dec 15 15:49:58 GMT 2023
PRIMARY
EVMPD
SUB11217MIG
Created by admin on Fri Dec 15 15:49:58 GMT 2023 , Edited by admin on Fri Dec 15 15:49:58 GMT 2023
PRIMARY
ChEMBL
CHEMBL2110722
Created by admin on Fri Dec 15 15:49:58 GMT 2023 , Edited by admin on Fri Dec 15 15:49:58 GMT 2023
PRIMARY
CAS
4047-34-1
Created by admin on Fri Dec 15 15:49:58 GMT 2023 , Edited by admin on Fri Dec 15 15:49:58 GMT 2023
PRIMARY
SMS_ID
100000077474
Created by admin on Fri Dec 15 15:49:58 GMT 2023 , Edited by admin on Fri Dec 15 15:49:58 GMT 2023
PRIMARY
NCI_THESAURUS
C152715
Created by admin on Fri Dec 15 15:49:58 GMT 2023 , Edited by admin on Fri Dec 15 15:49:58 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE