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

CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)C5=CC=CC=C5[C@]46C[C@@H]([C@H]2[C@H]6O)[N@@+]3(CC(O)CN(CC)CC)[C@@H]1O

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	9 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:12:51 GMT 2025` Edited by `admin` on `Mon Mar 31 19:12:51 GMT 2025`
Record UNII	BG60K165ZS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DETAJMIUM

Common Name

English

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

Preferred Name

English

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

Common Name

English

Code System Code Type Description

RXCUI

82665