SU-15049 CITRATE

Details

Stereochemistry	MIXED
Molecular Formula	C27H30N2.C6H8O7
Molecular Weight	574.664
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0
Stereo Comments	Assumed mixed

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)CC(O)(CC(O)=O)C(O)=O.C1CCN(C1)C2CC(C(C(C2)C3=CC=CC=C3)C4=NC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=ZZMNFTXEFGZAOA-UHFFFAOYSA-N

InChI=1S/C27H30N2.C6H8O7/c1-3-11-21(12-4-1)24-19-23(29-17-9-10-18-29)20-25(22-13-5-2-6-14-22)27(24)26-15-7-8-16-28-26;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-8,11-16,23-25,27H,9-10,17-20H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C6H8O7
Molecular Weight	192.1235
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C27H30N2
Molecular Weight	382.5405
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:10:26 UTC 2023` Edited by `admin` on `Fri Dec 15 15:10:26 UTC 2023`
Record UNII	L53MX76TCU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SU-15049 CITRATE

Code

English

PYRIDINE, 2-(2,6-DIPHENYL-4-(1-PYRROLIDINYL)CYCLOHEXYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1)

Systematic Name

English

2-(2,6-DIPHENYL-4-(1-PYRROLIDINYL)CYCLOHEXYL)PYRIDINE CITRATE

Systematic Name

English

Code System Code Type Description

CAS

23247-48-5