AKUAMMINE HYDROCHLORIDE ETHANOLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26N2O4.C2H6O.ClH
Molecular Weight	464.982
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of AKUAMMINE HYDROCHLORIDE ETHANOLATE

Structure Search

SMILES

Cl.CCO.COC(=O)[C@]12CO[C@]34[C@@H]5C[C@H]1\C(CN5CC[C@]23C6=CC(O)=CC=C6N4C)=C/C

InChI

InChIKey=HLNLVODCLRDGEN-URTOBATPSA-N

InChI=1S/C22H26N2O4.C2H6O.ClH/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3;1-2-3;/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3;3H,2H2,1H3;1H/b13-4-;;/t15-,18-,20-,21-,22+;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C2H6O
Molecular Weight	46.0684
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C22H26N2O4
Molecular Weight	382.4528
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:45:44 GMT 2025` Edited by `admin` on `Mon Mar 31 22:45:44 GMT 2025`
Record UNII	NCM158O1PD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AKUAMMINE HYDROCHLORIDE ETHANOLATE

Common Name

English

AKUAMMINE HYDROCHLORIDE ETHANOLATE [MI]

Preferred Name

English

METHYL (6S,6AR,8AS,13BS,14S,E)-5-ETHYLIDENE-12-HYDROXY-9-METHYL-1,2,5,6-TETRAHYDRO-4H,9H-3,8A,6-(EPIETHANE(1,1,2)TRIYL)AZOCINO(4',5':3,4)FURO(2,3-B)INDOLE-6A(7H)-CARBOXYLATE COMPOUND WITH ETHANOL (1:1) HYDROCHLORIDE

Systematic Name

English

Code System Code Type Description

PUBCHEM

90478964

Created by admin on Mon Mar 31 22:45:44 GMT 2025 , Edited by admin on Mon Mar 31 22:45:44 GMT 2025

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FDA UNII

NCM158O1PD

Created by admin on Mon Mar 31 22:45:44 GMT 2025 , Edited by admin on Mon Mar 31 22:45:44 GMT 2025

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MERCK INDEX

m6

Created by admin on Mon Mar 31 22:45:44 GMT 2025 , Edited by admin on Mon Mar 31 22:45:44 GMT 2025

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Merck Index