DETAJMIUM

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H42N3O3
Molecular Weight	456.6407
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

[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=IXLGLCQSNUMEGQ-HFCGKFOFSA-N

InChI=1S/C27H42N3O3/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/h8-11,16-18,21-26,31-33H,5-7,12-15H2,1-4H3/q+1/t16?,17-,18-,21-,22-,23?,24-,25+,26+,27+,30-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H41N3O3
Molecular Weight	455.6327
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	8 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:28:15 GMT 2023` Edited by `admin` on `Fri Dec 15 18:28:15 GMT 2023`
Record UNII	BG60K165ZS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DETAJMIUM

Common Name

English

AJMALANIUM, 4-(3-(DIETHYLAMINO)-2-HYDROXYPROPYL)-17,21-DIHYDROXY-, (17R,21.ALPHA.)-

Common Name

English

4-(3-(DIETHYLAMINO)-2-HYDROXYPROPYL)AJMALINIUM

Common Name

English

Code System Code Type Description

RXCUI

82665