L-368899 HEMISULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C26H42N4O5S2.H2O4S
Molecular Weight	1207.609
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OS(O)(=O)=O.CC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C[C@]34CC[C@H](C[C@@H]3NC(=O)[C@@H](N)CCS(C)(=O)=O)C4(C)C.CC5=CC=CC=C5N6CCN(CC6)S(=O)(=O)C[C@]78CC[C@H](C[C@@H]7NC(=O)[C@@H](N)CCS(C)(=O)=O)C8(C)C

InChI

InChIKey=SNVSEGMKVVSPFX-WVGYLXQFSA-N

InChI=1S/2C26H42N4O5S2.H2O4S/c2*1-19-7-5-6-8-22(19)29-12-14-30(15-13-29)37(34,35)18-26-11-9-20(25(26,2)3)17-23(26)28-24(31)21(27)10-16-36(4,32)33;1-5(2,3)4/h2*5-8,20-21,23H,9-18,27H2,1-4H3,(H,28,31);(H2,1,2,3,4)/t2*20-,21+,23+,26-;/m11./s1

HIDE SMILES / InChI

Molecular Formula	C26H42N4O5S2
Molecular Weight	554.765
Charge	0
Count

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

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 15:39:17 GMT 2023` Edited by `admin` on `Fri Dec 15 15:39:17 GMT 2023`
Record UNII	TWX9R578TZ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

L-368899 HEMISULFATE

Common Name

English

Code System Code Type Description

FDA UNII

TWX9R578TZ

Created by admin on Fri Dec 15 15:39:17 GMT 2023 , Edited by admin on Fri Dec 15 15:39:17 GMT 2023

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PUBCHEM

91800133

Created by admin on Fri Dec 15 15:39:17 GMT 2023 , Edited by admin on Fri Dec 15 15:39:17 GMT 2023

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