SPERGUALIN TRIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C17H37N7O4.3ClH
Molecular Weight	512.903
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SPERGUALIN TRIHYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.NCCCNCCCCNC(=O)[C@H](O)NC(=O)C[C@@H](O)CCCCNC(N)=N

InChI

InChIKey=XWNJZPKETIWTTF-RIHGSVRJSA-N

InChI=1S/C17H37N7O4.3ClH/c18-7-5-9-21-8-3-4-10-22-15(27)16(28)24-14(26)12-13(25)6-1-2-11-23-17(19)20;;;/h13,16,21,25,28H,1-12,18H2,(H,22,27)(H,24,26)(H4,19,20,23);3*1H/t13-,16-;;;/m0.../s1

HIDE SMILES / InChI

Molecular Formula	C17H37N7O4
Molecular Weight	403.5202
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:58:53 GMT 2023` Edited by `admin` on `Sat Dec 16 03:58:53 GMT 2023`
Record UNII	X391873NYD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SPERGUALIN TRIHYDROCHLORIDE

Common Name

English

Code System Code Type Description

CAS

80952-47-2

Created by admin on Sat Dec 16 03:58:53 GMT 2023 , Edited by admin on Sat Dec 16 03:58:53 GMT 2023

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PUBCHEM

71587298

Created by admin on Sat Dec 16 03:58:53 GMT 2023 , Edited by admin on Sat Dec 16 03:58:53 GMT 2023

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FDA UNII

X391873NYD

Created by admin on Sat Dec 16 03:58:53 GMT 2023 , Edited by admin on Sat Dec 16 03:58:53 GMT 2023

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EPA CompTox

DTXSID30230813

Created by admin on Sat Dec 16 03:58:53 GMT 2023 , Edited by admin on Sat Dec 16 03:58:53 GMT 2023

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SPERGUALIN

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