Naronapride dihydrochloride trihydrate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H41ClN4O5.2ClH.3H2O
Molecular Weight	664.059
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Naronapride dihydrochloride trihydrate

Structure Search

SMILES

O.O.O.Cl.Cl.CO[C@H]1CN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)CC[C@H]1NC(=O)C4=C(OC)C=C(N)C(Cl)=C4

InChI

InChIKey=BLYKZEFLIVFJIG-HYDSBGGBSA-N

InChI=1S/C27H41ClN4O5.2ClH.3H2O/c1-35-23-15-21(29)20(28)14-19(23)27(34)30-22-9-13-31(17-25(22)36-2)10-5-3-4-6-26(33)37-24-16-32-11-7-18(24)8-12-32;;;;;/h14-15,18,22,24-25H,3-13,16-17,29H2,1-2H3,(H,30,34);2*1H;3*1H2/t22-,24+,25+;;;;;/m1...../s1

HIDE SMILES / InChI

Molecular Formula	C27H41ClN4O5
Molecular Weight	537.091
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
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

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:23:31 UTC 2023` Edited by `admin` on `Sat Dec 16 19:23:31 UTC 2023`
Record UNII	N69ZMW833X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Naronapride dihydrochloride trihydrate

Common Name

English

1-Piperidinehexanoic acid, 4-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-3-methoxy-, (3R)-1-azabicyclo[2.2.2]oct-3-yl ester, hydrochloride, hydrate (1:2:3), (3S,4R)-

Systematic Name

English

(3S,4R)-6-[4-(4-Amino-5-chloro-2-methoxybenzoylamino)-3-methoxypiperidin-1-yl]hexanoic acid (3R)-1-azabicyclo[2.2.2]oct-3-yl ester dihydrochloride trihydrate

Systematic Name

English

ATI-7505 dihydrochloride, trihydrate

Common Name

English

Code System Code Type Description

PUBCHEM

166451425

Created by admin on Sat Dec 16 19:23:32 UTC 2023 , Edited by admin on Sat Dec 16 19:23:32 UTC 2023

PRIMARY

CAS

2411560-43-3