Emtricitabine Menthyl Ester

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C18H26FN3O4S
Molecular Weight	399.48
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Emtricitabine Menthyl Ester

Structure Search

SMILES

CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]2O[C@@H](CS2)N3C=C(F)C(N)=NC3=O

InChI

InChIKey=AUTCQXVTOIJYOT-KKVJTYSWSA-N

InChI=1S/C18H26FN3O4S/c1-9(2)11-5-4-10(3)6-13(11)25-16(23)17-26-14(8-27-17)22-7-12(19)15(20)21-18(22)24/h7,9-11,13-14,17H,4-6,8H2,1-3H3,(H2,20,21,24)/t10-,11+,13-,14+,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C18H26FN3O4S
Molecular Weight	399.48
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:41:36 GMT 2025` Edited by `admin` on `Mon Mar 31 23:41:36 GMT 2025`
Record UNII	79RVV445GQ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Emtricitabine Menthyl Ester

Common Name

English

(1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL (2R,5S)-5-(4-AMINO-5-FLUORO-2-OXO-1(2H)-PYRIMIDINYL)-1,3-OXATHIOLANE-2-CARBOXYLATE

Preferred Name

English

1,3-OXATHIOLANE-2-CARBOXYLIC ACID, 5-(4-AMINO-5-FLUORO-2-OXO-1(2H)-PYRIMIDINYL)-, (1R,2S,5R)-5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL ESTER, (2R,5S)-

Systematic Name

English

(2R,5S)-5-(4-AMINO-5-FLUORO-2-OXO-1,2-DIHYDRO-1-PYRIMIDINYL)-1,3-OXATHIOLANE-2-CARBOXYLIC ACID (1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL ESTER

Systematic Name

English

Code System Code Type Description

CAS

764659-72-5