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Details

Stereochemistry EPIMERIC
Molecular Formula C27H42N3O3.C4H5O6
Molecular Weight 605.7196
Optical Activity UNSPECIFIED
Defined Stereocenters 12 / 13
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DETAJMIUM BITARTRATE ANHYDROUS

SMILES

O[C@H]([C@@H](O)C([O-])=O)C(O)=O.[H][C@]12C[C@]34[C@H](O)[C@@]1([H])[C@]5([H])C[C@@]([H])([C@]3([H])N(C)C6=C4C=CC=C6)[N@+]2(CC(O)CN(CC)CC)[C@H](O)[C@H]5CC

InChI

InChIKey=NXAWWUAMFJNVMF-MIOVOVSCSA-M
InChI=1S/C27H42N3O3.C4H6O6/c1-5-17-18-12-21-24-27(19-10-8-9-11-20(19)28(24)4)13-22(23(18)25(27)32)30(21,26(17)33)15-16(31)14-29(6-2)7-3;5-1(3(7)8)2(6)4(9)10/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-1/t16?,17-,18-,21-,22-,23?,24-,25+,26+,27+,30-;1-,2-/m01/s1

HIDE SMILES / InChI

Molecular Formula C27H42N3O3
Molecular Weight 456.6407
Charge 1
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 8 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C4H5O6
Molecular Weight 149.0789
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Detajmium bitartrate anhydrous is Rauwolfia alkaloid. It is a sodium-channel-blocking drug with an extremely long recovery from use-dependent sodium channel block. Detajmium has antiarrhythmic properties. It caused comparable prolongations of the intraventricular conduction time during sinus rhythm and progressively broadened the QRS complex. Rauwolfia alkaloids use is restricted by serious adverse effects, such as dysrhytmias. Several detajmium bitartrate lethal intoxications were reported.

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:59:37 GMT 2023
Edited
by admin
on Fri Dec 15 18:59:37 GMT 2023
Record UNII
5KU1H0W7VZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DETAJMIUM BITARTRATE ANHYDROUS
Common Name English
AJMALANIUM, 4-(3-(DIETHYLAMINO)-2-HYDROXYPROPYL)-17,21-DIHYDROXY-, (17R,21.ALPHA.)-, SALT WITH (2R,3R)-2,3-DIHYDROXYBUTANEDIOIC ACID (1:1)
Common Name English
4-(3-(DIETHYLAMINO)-2-HYDROXYPROPYL)AJMALINIUM HYDROGEN TARTRATE
Common Name English
Code System Code Type Description
NCI_THESAURUS
C166851
Created by admin on Fri Dec 15 18:59:38 GMT 2023 , Edited by admin on Fri Dec 15 18:59:38 GMT 2023
PRIMARY
FDA UNII
5KU1H0W7VZ
Created by admin on Fri Dec 15 18:59:38 GMT 2023 , Edited by admin on Fri Dec 15 18:59:38 GMT 2023
PRIMARY
EPA CompTox
DTXSID70955356
Created by admin on Fri Dec 15 18:59:38 GMT 2023 , Edited by admin on Fri Dec 15 18:59:38 GMT 2023
PRIMARY
EVMPD
SUB07008MIG
Created by admin on Fri Dec 15 18:59:38 GMT 2023 , Edited by admin on Fri Dec 15 18:59:38 GMT 2023
PRIMARY
CAS
33774-52-6
Created by admin on Fri Dec 15 18:59:38 GMT 2023 , Edited by admin on Fri Dec 15 18:59:38 GMT 2023
PRIMARY
PUBCHEM
118984401
Created by admin on Fri Dec 15 18:59:38 GMT 2023 , Edited by admin on Fri Dec 15 18:59:38 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
SOLVATE->ANHYDROUS