LNC-834

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H26N2O3.5H2O.H2O4S
Molecular Weight	530.587
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.O.O.O.O.OS(O)(=O)=O.[H][C@@]1(C[C@@H]2CC[N@]1C[C@]2(O)CC)[C@@H](O)C3=CC=NC4=CC=C(OC)C=C34

InChI

InChIKey=LJBHFJBWXOOOJR-UBCXFKNXSA-N

InChI=1S/C20H26N2O3.H2O4S.5H2O/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17;1-5(2,3)4;;;;;/h4-6,8,11,13,18-19,23-24H,3,7,9-10,12H2,1-2H3;(H2,1,2,3,4);5*1H2/t13-,18+,19-,20+;;;;;;/m0....../s1

HIDE SMILES / InChI

Molecular Formula	C20H26N2O3
Molecular Weight	342.432
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	H2O4S
Molecular Weight	98.078
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 15:35:32 UTC 2023` Edited by `admin` on `Fri Dec 15 15:35:32 UTC 2023`
Record UNII	T3G0ZP1R91
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LNC-834

Common Name

English

Code System Code Type Description

PUBCHEM

131842199

Created by admin on Fri Dec 15 15:35:32 UTC 2023 , Edited by admin on Fri Dec 15 15:35:32 UTC 2023

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CAS

119454-59-0

Created by admin on Fri Dec 15 15:35:32 UTC 2023 , Edited by admin on Fri Dec 15 15:35:32 UTC 2023

PRIMARY

FDA UNII

T3G0ZP1R91

Created by admin on Fri Dec 15 15:35:32 UTC 2023 , Edited by admin on Fri Dec 15 15:35:32 UTC 2023

PRIMARY

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