DETAJMIUM BITARTRATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H42N3O3.C4H5O6.H2O
Molecular Weight	623.7349
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.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=DOHVHMBOUQUKBP-XBDNGNHPSA-M

InChI=1S/C27H42N3O3.C4H6O6.H2O/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);1H2/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	C4H6O6
Molecular Weight	150.0868
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	HO
Molecular Weight	17.0073
Charge	-1
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:52:00 GMT 2023` Edited by `admin` on `Fri Dec 15 18:52:00 GMT 2023`
Record UNII	916D901058
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DETAJMIUM BITARTRATE

Official Name

English

4-(3-(DIETHYLAMINO)-2-HYDROXYPROPYL)AJMALINIUM HYDROGEN TARTRATE MONOHYDRATE

Common Name

English

Detajmium bitartrate [WHO-DD]

Common Name

English

DETAJMIUM BITARTRATE [MART.]

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), MONOHYDRATE

Common Name

English

DETAJMIUM BITARTRATE MONOHYDRATE

Common Name

English

detajmium bitartrate [INN]

Common Name

English

Code System Code Type Description

CAS

53862-81-0