SUN-N 8075

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H36FN3O2.2CH4O3S
Molecular Weight	669.825
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CC1=CC(OC[C@@H](O)CN2CCN(CC2)C3=CC=C(CC4=CC=C(F)C=C4)C=C3)=C(C)C(C)=C1N

InChI

InChIKey=BHVJEDVPEXXDDP-LPCSYZHESA-N

InChI=1S/C29H36FN3O2.2CH4O3S/c1-20-16-28(21(2)22(3)29(20)31)35-19-27(34)18-32-12-14-33(15-13-32)26-10-6-24(7-11-26)17-23-4-8-25(30)9-5-23;2*1-5(2,3)4/h4-11,16,27,34H,12-15,17-19,31H2,1-3H3;2*1H3,(H,2,3,4)/t27-;;/m0../s1

HIDE SMILES / InChI

Molecular Formula	C29H36FN3O2
Molecular Weight	477.6134
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:26:15 UTC 2023` Edited by `admin` on `Fri Dec 15 16:26:15 UTC 2023`
Record UNII	DM2ASGKFM4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SUN-N 8075

Code

English

SUN N8075

Code

English

1-PIPERAZINEETHANOL, .ALPHA.-((4-AMINO-2,3,5-TRIMETHYLPHENOXY)METHYL)-4-(4-((4-FLUOROPHENYL)METHYL)PHENYL)-, (.ALPHA.S)-, METHANESULFONATE (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

DM2ASGKFM4

Created by admin on Fri Dec 15 16:26:15 UTC 2023 , Edited by admin on Fri Dec 15 16:26:15 UTC 2023

PRIMARY

CAS

224450-56-0

Created by admin on Fri Dec 15 16:26:15 UTC 2023 , Edited by admin on Fri Dec 15 16:26:15 UTC 2023

PRIMARY

PUBCHEM

9852813

Created by admin on Fri Dec 15 16:26:15 UTC 2023 , Edited by admin on Fri Dec 15 16:26:15 UTC 2023

PRIMARY

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