CEVIMELINE SULFOXIDE, CIS-

Details

Stereochemistry	RACEMIC
Molecular Formula	C10H17NO2S
Molecular Weight	215.312
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1O[C@]2(C[S@+]1[O-])CN3CC[C@H]2CC3

InChI

InChIKey=CFUGNFXJXCPICM-QEVYDEPDSA-N

InChI=1S/C10H17NO2S/c1-8-13-10(7-14(8)12)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C10H17NO2S
Molecular Weight	215.312
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 `Sat Dec 16 09:40:01 GMT 2023` Edited by `admin` on `Sat Dec 16 09:40:01 GMT 2023`
Record UNII	QQ5F85047O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CEVIMELINE SULFOXIDE, CIS-

Common Name

English

SPIRO(1-AZABICYCLO(2.2.2)OCTANE-3,5'-(1,3)OXATHIOLANE), 2'-METHYL-, 3'-OXIDE, (2'.ALPHA.,3'.ALPHA.,5'.ALPHA.)-(±)-

Systematic Name

English

SPIRO(1-AZABICYCLO(2.2.2)OCTANE-3,5'-(1,3)OXATHIOLANE), 2'-METHYL-, 3'-OXIDE, (2'R,3R,3'S)-REL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40563306

Created by admin on Sat Dec 16 09:40:01 GMT 2023 , Edited by admin on Sat Dec 16 09:40:01 GMT 2023

PRIMARY

CAS

124751-36-6

Created by admin on Sat Dec 16 09:40:01 GMT 2023 , Edited by admin on Sat Dec 16 09:40:01 GMT 2023

PRIMARY

PUBCHEM

91810606

Created by admin on Sat Dec 16 09:40:01 GMT 2023 , Edited by admin on Sat Dec 16 09:40:01 GMT 2023

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FDA UNII

QQ5F85047O

Created by admin on Sat Dec 16 09:40:01 GMT 2023 , Edited by admin on Sat Dec 16 09:40:01 GMT 2023

PRIMARY

Related Record Type Details


					K9V0CDQ56E

CEVIMELINE

PARENT -> METABOLITE

Qualification:

URINE

Amount: