3.BETA.-BENZYL-4,4-DIMETHYL-4-AZA-5.ALPHA.-CHOLESTANE CHLORIDE MONOHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H58N.Cl.H2O
Molecular Weight	546.31
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3.BETA.-BENZYL-4,4-DIMETHYL-4-AZA-5.ALPHA.-CHOLESTANE CHLORIDE MONOHYDRATE

Structure Search

SMILES

O.[Cl-].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])[C@](C)(CC[C@H](CC5=CC=CC=C5)[N+]4(C)C)[C@@]3([H])CC[C@]12C)[C@H](C)CCCC(C)C

InChI

InChIKey=IRBJWXDZOPRSFF-NFCDNHOSSA-M

InChI=1S/C35H58N.ClH.H2O/c1-25(2)12-11-13-26(3)30-17-18-31-29-16-19-33-35(5,32(29)21-23-34(30,31)4)22-20-28(36(33,6)7)24-27-14-9-8-10-15-27;;/h8-10,14-15,25-26,28-33H,11-13,16-24H2,1-7H3;1H;1H2/q+1;;/p-1/t26-,28-,29+,30-,31+,32+,33-,34-,35-;;/m1../s1

HIDE SMILES / InChI

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	HO
Molecular Weight	17.0073
Charge	-1
Count

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

Molecular Formula	C35H58N
Molecular Weight	492.8417
Charge	1
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:10:12 GMT 2023` Edited by `admin` on `Fri Dec 15 15:10:12 GMT 2023`
Record UNII	HM28N9Y90G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3.BETA.-BENZYL-4,4-DIMETHYL-4-AZA-5.ALPHA.-CHOLESTANE CHLORIDE MONOHYDRATE

Systematic Name

English

4-AZONIA-5.ALPHA.-CHOLESTANE, 3.BETA.-BENZYL-4,4-DIMETHYL-, CHLORIDE, MONOHYDRATE

Systematic Name

English

1H-INDENO(5,4-F)QUINOLINIUM, 7-((1R)-1,5-DIMETHYLHEXYL)HEXADECAHYDRO-1,1,4A,6A-TETRAMETHYL-2-(PHENYLMETHYL)-, CHLORIDE, MONOHYDRATE, (2R,4AR,4BS,6AR,7R,9AS,9BS,11AR)-

Systematic Name

English

Code System Code Type Description

CAS

23232-36-2

Created by admin on Fri Dec 15 15:10:12 GMT 2023 , Edited by admin on Fri Dec 15 15:10:12 GMT 2023

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PUBCHEM

23619857

Created by admin on Fri Dec 15 15:10:12 GMT 2023 , Edited by admin on Fri Dec 15 15:10:12 GMT 2023

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EPA CompTox

DTXSID60274922

Created by admin on Fri Dec 15 15:10:12 GMT 2023 , Edited by admin on Fri Dec 15 15:10:12 GMT 2023

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FDA UNII

HM28N9Y90G

Created by admin on Fri Dec 15 15:10:12 GMT 2023 , Edited by admin on Fri Dec 15 15:10:12 GMT 2023

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