EMBRAMINE TEOCLATE, (S)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H22BrNO.C7H7ClN4O2
Molecular Weight	562.886
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(N=C(Cl)N2)C(=O)N(C)C1=O.CN(C)CCO[C@@](C)(C3=CC=CC=C3)C4=CC=C(Br)C=C4

InChI

InChIKey=UZJKOLCOUILXEJ-FERBBOLQSA-N

InChI=1S/C18H22BrNO.C7H7ClN4O2/c1-18(21-14-13-20(2)3,15-7-5-4-6-8-15)16-9-11-17(19)12-10-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h4-12H,13-14H2,1-3H3;1-2H3,(H,9,10)/t18-;/m0./s1

HIDE SMILES / InChI

Molecular Formula	C7H7ClN4O2
Molecular Weight	214.609
Charge	0
Count

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

Molecular Formula	C18H22BrNO
Molecular Weight	348.277
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:28:39 GMT 2023` Edited by `admin` on `Sat Dec 16 10:28:39 GMT 2023`
Record UNII	Q4XAE6713W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EMBRAMINE TEOCLATE, (S)-

Common Name

English

1H-PURINE-2,6-DIONE, 8-CHLORO-3,9-DIHYDRO-1,3-DIMETHYL-, COMPD. WITH 2-(1-(4-BROMOPHENYL)-1-PHENYLETHOXY)-N,N-DIMETHYLETHANAMINE, (S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

76968406

Created by admin on Sat Dec 16 10:28:39 GMT 2023 , Edited by admin on Sat Dec 16 10:28:39 GMT 2023

PRIMARY

FDA UNII

Q4XAE6713W

Created by admin on Sat Dec 16 10:28:39 GMT 2023 , Edited by admin on Sat Dec 16 10:28:39 GMT 2023

PRIMARY

Related Record Type Details


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EMBRAMINE TEOCLATE

RACEMATE -> ENANTIOMER