TC-2696 HEMIGALACTARATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C12H18N2O.C6H10O8
Molecular Weight	622.707
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=FLQBNKVEDURVOS-MGBSAVTRSA-N

InChI=1S/2C12H18N2O.C6H10O8/c2*1-10(13-2)5-4-6-11-7-12(15-3)9-14-8-11;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*4,6-10,13H,5H2,1-3H3;1-4,7-10H,(H,11,12)(H,13,14)/b2*6-4+;/t2*10-;1-,2+,3+,4-/m00./s1

HIDE SMILES / InChI

Molecular Formula	C6H10O8
Molecular Weight	210.1388
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED
StereoComments	meso

Molecular Formula	C12H18N2O
Molecular Weight	206.2841
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:10:13 GMT 2023` Edited by `admin` on `Fri Dec 15 16:10:13 GMT 2023`
Record UNII	W34896B36A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TC-2696 HEMIGALACTARATE

Code

English

(2S)-(4E)-N-METHYL-5-(5-METHOXY-3-PYRIDYL)-4-PENTEN-2-AMINE HEMI-GALACTARATE

Systematic Name

English

GALACTARIC ACID, COMPD. WITH (2S,4E)-5-(5-METHOXY-3-PYRIDINYL)-N-METHYL-4-PENTEN-2-AMINE (1:2)

Systematic Name

English

Code System Code Type Description

CAS

1112974-99-8

Created by admin on Fri Dec 15 16:10:13 GMT 2023 , Edited by admin on Fri Dec 15 16:10:13 GMT 2023

NON-SPECIFIC STOICHIOMETRY

PUBCHEM

131801091

Created by admin on Fri Dec 15 16:10:13 GMT 2023 , Edited by admin on Fri Dec 15 16:10:13 GMT 2023

PRIMARY

FDA UNII

W34896B36A

Created by admin on Fri Dec 15 16:10:13 GMT 2023 , Edited by admin on Fri Dec 15 16:10:13 GMT 2023

PRIMARY

CAS

1112975-47-9

Created by admin on Fri Dec 15 16:10:13 GMT 2023 , Edited by admin on Fri Dec 15 16:10:13 GMT 2023

PRIMARY

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5-(5-METHOXY-3-PYRIDINYL)-N-METHYL-4-PENTEN-2-AMINE, (2S,4E)-

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