SMP-797 MONOHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H43N5O4.ClH.H2O
Molecular Weight	640.213
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

O.Cl.CCCCN1C(=O)C(NC(=O)NC2=C(C=C(N)C=C2C(C)C)C(C)C)=C(C3=CC=CC(OCCCO)=C3)C4=C1N=CC=C4

InChI

InChIKey=ZUCFGSAENWHFPO-UHFFFAOYSA-N

InChI=1S/C34H43N5O4.ClH.H2O/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5;;/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42);1H;1H2

HIDE SMILES / InChI

Molecular Formula	C34H43N5O4
Molecular Weight	585.7363
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

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 `Fri Dec 15 15:46:28 GMT 2023` Edited by `admin` on `Fri Dec 15 15:46:28 GMT 2023`
Record UNII	N5T5JAW5H1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SMP-797 MONOHYDRATE

Common Name

English

UREA, N-(4-AMINO-2,6-BIS(1-METHYLETHYL)PHENYL)-N'-(1-BUTYL-1,2-DIHYDRO-4-(3-(3-HYDROXYPROPOXY)PHENYL)-2-OXO-1,8-NAPHTHYRIDIN-3-YL)-, MONOHYDROCHLORIDE, MONOHYDRATE

Common Name

English

SMP-797

Common Name

English

Code System Code Type Description

FDA UNII

N5T5JAW5H1

Created by admin on Fri Dec 15 15:46:28 GMT 2023 , Edited by admin on Fri Dec 15 15:46:28 GMT 2023

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PUBCHEM

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