(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine, hemi((2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinate)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H18O8.2C14H22N2
Molecular Weight	823.0279
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine, hemi((2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinate)

Structure Search

SMILES

CN[C@H]1CN(CC2=CC=CC=C2)CC[C@H]1C.CN[C@H]3CN(CC4=CC=CC=C4)CC[C@H]3C.CC5=CC=C(C=C5)C(=O)O[C@H]([C@@H](OC(=O)C6=CC=C(C)C=C6)C(O)=O)C(O)=O

InChI

InChIKey=WGDVABTUJQIMJG-BKIDXARTSA-N

InChI=1S/C20H18O8.2C14H22N2/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*1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2*3-7,12,14-15H,8-11H2,1-2H3/t15-,16-;2*12-,14+/m111/s1

HIDE SMILES / InChI

Molecular Formula	C14H22N2
Molecular Weight	218.3379
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
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 `Wed Apr 02 20:52:39 GMT 2025` Edited by `admin` on `Wed Apr 02 20:52:39 GMT 2025`
Record UNII	DV3BBS6JV9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine ((2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinate) (2:1)

Preferred Name

English

(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine, hemi((2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinate)

Systematic Name

English

Butanedioic acid, 2,3-bis[(4-methylbenzoyl)oxy]-, (2R,3R)-, compd. with (3R,4R)-N,4-dimethyl-1-(phenylmethyl)-3-piperidinamine (1:2)

Systematic Name

English

Code System Code Type Description

FDA UNII

DV3BBS6JV9

Created by admin on Wed Apr 02 20:52:39 GMT 2025 , Edited by admin on Wed Apr 02 20:52:39 GMT 2025

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PUBCHEM

67295176

Created by admin on Wed Apr 02 20:52:39 GMT 2025 , Edited by admin on Wed Apr 02 20:52:39 GMT 2025

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CAS

477600-71-8

Created by admin on Wed Apr 02 20:52:39 GMT 2025 , Edited by admin on Wed Apr 02 20:52:39 GMT 2025

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