ECHITAMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H29N2O4
Molecular Weight	385.4767
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	1
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

COC(=O)[C@]1(CO)[C@H]2C[C@H](O)[C@@]34NC5=CC=CC=C5[C@@]13CC[N@@+]4(C)C\C2=C\C

InChI

InChIKey=AFJPGVUCVDCFPM-BBFZNYENSA-N

InChI=1S/C22H29N2O4/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3/h4-8,16,18,23,25-26H,9-13H2,1-3H3/q+1/b14-4-/t16-,18-,20-,21-,22-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H28N2O4
Molecular Weight	384.4687
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:32:13 GMT 2025` Edited by `admin` on `Mon Mar 31 22:32:13 GMT 2025`
Record UNII	OTH5TH48VK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ECHITAMINE

Common Name

English

NSC-296565

Preferred Name

English

ECHITAMINE ION

Common Name

English

ECHITAMINE [MI]

Common Name

English

DITAINE

Common Name

English

13H-3,8A-METHANO-1H-AZEPINO(1',2':1,2)PYRROLO(2,3-B)INDOLIUM, 4-ETHYLIDENE-2,3,4,5,7,8-HEXAHYDRO-1-HYDROXY-14-(HYDROXYMETHYL)-14-(METHOXYCARBONYL)-6-METHYL-, (1S-(1.ALPHA.,3.BETA.,4E,8A.ALPHA.,13AS*,14S*))-

Systematic Name

English

13H-3,8A-METHANO-1H-AZEPINO(1',2':1,2)PYRROLO(2,3-B)INDOLIUM, 4-ETHYLIDENE-2,3,4,5,7,8-HEXAHYDRO-1-HYDROXY-14-(HYDROXYMETHYL)-14-(METHOXYCARBONYL)-6-METHYL-, (1S,3S,4E,8AS,13AR,14R)-

Systematic Name

English

ECHITAMINE CATION

Common Name

English

Code System Code Type Description

FDA UNII

OTH5TH48VK