ISPRONICLINE HEMI-BIS-4-TOLUOYL-D-TARTRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18O8.2C14H22N2O
Molecular Weight	855.0267
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure of ISPRONICLINE HEMI-BIS-4-TOLUOYL-D-TARTRATE

Structure Search

SMILES

CN[C@@H](C)C\C=C\C1=CC(OC(C)C)=CN=C1.CN[C@@H](C)C\C=C\C2=CC(OC(C)C)=CN=C2.CC3=CC=C(C=C3)C(=O)O[C@@H]([C@H](OC(=O)C4=CC=C(C)C=C4)C(O)=O)C(O)=O

InChI

InChIKey=YDGYVSAETINUCS-IANJVSEGSA-N

InChI=1S/C20H18O8.2C14H22N2O/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;2*1-11(2)17-14-8-13(9-16-10-14)7-5-6-12(3)15-4/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2*5,7-12,15H,6H2,1-4H3/b;2*7-5+/t15-,16-;2*12-/m000/s1

HIDE SMILES / InChI

Molecular Formula	C14H22N2O
Molecular Weight	234.3373
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	C20H18O8
Molecular Weight	386.3521
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:55:15 GMT 2023` Edited by `admin` on `Fri Dec 15 15:55:15 GMT 2023`
Record UNII	5VR47NS2J2
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

ISPRONICLINE HEMI-BIS-4-TOLUOYL-D-TARTRATE

Common Name

English

2,3-BIS((4-METHYLBENZOYL)OXY)BUTANEDIOIC ACID, (2S,3S)-, COMPD. WITH (2S,4E)-N-METHYL-5-(5-(1-METHYLETHOXY)-3-PYRIDINYL)-4-PENTEN-2-AMINE (1:2)

Systematic Name

English

BUTANEDIOIC ACID, 2,3-BIS((4-METHYLBENZOYL)OXY)-, (2S,3S)-, COMPD. WITH (2S,4E)-N-METHYL-5-(5-(1-METHYLETHOXY)-3-PYRIDINYL)-4-PENTEN-2-AMINE (1:2)

Systematic Name

English

DI-(2S,4E)-N-METHYL-5-(5-(1-METHYLETHOXY)-3-PYRIDINYL)-4-PENTEN-2-AMINE 2,3-BIS((2S,3S)-(4-METHYLBENZOYL)OXY)BUTANEDIOATE

Common Name

English

ISPRONICLINE DI-4-TOLUOYL-D-TARTRATE

Common Name

English

Code System Code Type Description

FDA UNII

5VR47NS2J2

Created by admin on Fri Dec 15 15:55:15 GMT 2023 , Edited by admin on Fri Dec 15 15:55:15 GMT 2023

PRIMARY

CAS

391624-57-0

Created by admin on Fri Dec 15 15:55:15 GMT 2023 , Edited by admin on Fri Dec 15 15:55:15 GMT 2023

PRIMARY

PUBCHEM

72941814

Created by admin on Fri Dec 15 15:55:15 GMT 2023 , Edited by admin on Fri Dec 15 15:55:15 GMT 2023

PRIMARY

Related Record Type Details


					3E05NBH9V5

ISPRONICLINE

PARENT -> SALT/SOLVATE