Ethyl (3R,4R,5S)-4-[(1,1-dimethylethyl)amino]-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H42N2O3
Molecular Weight	406.6019
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethyl (3R,4R,5S)-4-[(1,1-dimethylethyl)amino]-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

Structure Search

SMILES

CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)(C)C)[C@H](C1)N(CC=C)CC=C

InChI

InChIKey=NTHKNTJHXNPWDJ-BHDDXSALSA-N

InChI=1S/C24H42N2O3/c1-9-14-26(15-10-2)20-16-18(23(27)28-13-5)17-21(29-19(11-3)12-4)22(20)25-24(6,7)8/h9-10,17,19-22,25H,1-2,11-16H2,3-8H3/t20-,21+,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H42N2O3
Molecular Weight	406.6019
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 20:19:07 GMT 2023` Edited by `admin` on `Sat Dec 16 20:19:07 GMT 2023`
Record UNII	45H3J6295Y
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Ethyl (3R,4R,5S)-4-[(1,1-dimethylethyl)amino]-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

Systematic Name

English

1-Cyclohexene-1-carboxylic acid, 4-[(1,1-dimethylethyl)amino]-5-(di-2-propen-1-ylamino)-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-

Systematic Name

English

(3R,4R,5S)-Ethyl 4-(tert-butylamino)-5-(diallylamino)-3-(pentan-3-yloxy)cyclohex-1-enecarboxylate

Systematic Name

English

Ethyl (3R,4R,5S)-5-N,N-Diallylamino-4-(1,1-dimethylethyl)amino-3-(1-ethylpropoxy)-1-cyclohexene-1-carboxylate

Systematic Name

English

Oseltamivir Impurity 50

Common Name

English

1-Cyclohexene-1-carboxylic acid, 4-[(1,1-dimethylethyl)amino]-5-(di-2-propenylamino)-3-(1-ethylpropoxy)-, ethyl ester, (3R,4R,5S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

66863279

Created by admin on Sat Dec 16 20:19:07 GMT 2023 , Edited by admin on Sat Dec 16 20:19:07 GMT 2023

PRIMARY

CAS

651324-06-0

Created by admin on Sat Dec 16 20:19:07 GMT 2023 , Edited by admin on Sat Dec 16 20:19:07 GMT 2023

PRIMARY

FDA UNII

45H3J6295Y

Created by admin on Sat Dec 16 20:19:07 GMT 2023 , Edited by admin on Sat Dec 16 20:19:07 GMT 2023

PRIMARY