DX-9065 HYDROCHLORIDE PENTAHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H28N4O3.ClH.5H2O
Molecular Weight	571.063
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DX-9065 HYDROCHLORIDE PENTAHYDRATE

Structure Search

SMILES

O.O.O.O.O.Cl.CC(=N)N1CC[C@@H](C1)OC2=CC=C(C=C2)[C@H](CC3=CC4=CC(=CC=C4C=C3)C(N)=N)C(O)=O

InChI

InChIKey=LJCBAPRMNYSDOP-LVCYMWGESA-N

InChI=1S/C26H28N4O3.ClH.5H2O/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17;;;;;;/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32);1H;5*1H2/t23-,24-;;;;;;/m0....../s1

HIDE SMILES / InChI

Molecular Formula	C26H28N4O3
Molecular Weight	444.5255
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

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

Approval Year

PubMed

Title	Date	PubMed
New antithrombotics in the prevention of thromboembolic disease.	2005 Aug	16084352

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:33:47 GMT 2023` Edited by `admin` on `Fri Dec 15 16:33:47 GMT 2023`
Record UNII	QXQVEPEVI2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DX-9065 HYDROCHLORIDE PENTAHYDRATE

Code

English

DX-9065A

Code

English

2-NAPHTHALENEPROPANOIC ACID, 7-(AMINOIMINOMETHYL)-.ALPHA.-(4-(((3S)-1-(1-IMINOETHYL)-3-PYRROLIDINYL)OXY)PHENYL)-, MONOHYDROCHLORIDE, PENTAHYDRATE, (.ALPHA.S)-

Systematic Name

English

2-NAPHTHALENEPROPANOIC ACID, 7-(AMINOIMINOMETHYL)-.ALPHA.-(4-(((3S)-1-(1-IMINOETHYL)-3-PYRROLIDINYL)OXY)PHENYL)-, HYDROCHLORIDE, HYDRATE (1:1:5), (.ALPHA.S)-

Systematic Name

English

(.ALPHA.S)-7-(AMINOIMINOMETHYL)-.ALPHA.-(4-(((3S)-1-(1-IMINOETHYL)-3-PYRROLIDINYL)OXY)PHENYL)-2-NAPHTHALENEPROPANOIC ACID HYDROCHLORIDE HYDRATE (1:1:5)

Systematic Name

English

DX 9065A

Code

English

2-NAPHTHALENEPROPANOIC ACID, 7-(AMINOIMINOMETHYL)-.ALPHA.-(4-((1-(1-IMINOETHYL)-3-PYRROLIDINYL)OXY)PHENYL)-, MONOHYDROCHLORIDE, PENTAHYDRATE, (S-(R*,R*))-

Systematic Name

English

Code System Code Type Description

EVMPD

SUB193196