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Details

Stereochemistry RACEMIC
Molecular Formula C10H17NOS
Molecular Weight 199.313
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CEVIMELINE

SMILES

C[C@H]1O[C@]2(CS1)CN3CC[C@H]2CC3

InChI

InChIKey=WUTYZMFRCNBCHQ-WPRPVWTQSA-N
InChI=1S/C10H17NOS/c1-8-12-10(7-13-8)6-11-4-2-9(10)3-5-11/h8-9H,2-7H2,1H3/t8-,10-/m0/s1

HIDE SMILES / InChI
Molecular Formula C10H17NOS
Molecular Weight 199.313
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:57:57 UTC 2023
Edited
by admin
on Sat Dec 16 15:57:57 UTC 2023
Record UNII
K9V0CDQ56E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CEVIMELINE
HSDB   INN   MI   VANDF   WHO-DD  
INN  
Official Name English
CEVIMELINE [MI]
Common Name English
Cevimeline [WHO-DD]
Common Name English
cevimeline [INN]
Common Name English
CEVIMELINE [VANDF]
Common Name English
SPIRO(1-AZABICYCLO(2.2.2)OCTANE-3,5'-(1,3)OXATHIOLANE), 2'-METHYL-
Systematic Name English
CEVIMELINE [HSDB]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C47796
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
WHO-ATC N07AX03
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
NDF-RT N0000000104
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
NDF-RT N0000000104
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
NDF-RT N0000000104
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
WHO-VATC QN07AX03
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
LIVERTOX NBK548833
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
NDF-RT N0000175884
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
Code System Code Type Description
EVMPD
SUB07461MIG
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
CAS
107233-08-9
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
DAILYMED
K9V0CDQ56E
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
NCI_THESAURUS
C66873
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
CHEBI
3568
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
RXCUI
44281
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY RxNorm
ChEMBL
CHEMBL168815
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
DRUG BANK
DB00185
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
MESH
C059240
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
PUBCHEM
18642481
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
INN
7540
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
DRUG CENTRAL
584
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
MERCK INDEX
m3303
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY Merck Index
WIKIPEDIA
CEVIMELINE
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
FDA UNII
K9V0CDQ56E
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
EPA CompTox
DTXSID2023777
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
HSDB
7286
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
SMS_ID
100000081517
Created by admin on Sat Dec 16 15:57:58 UTC 2023 , Edited by admin on Sat Dec 16 15:57:58 UTC 2023
PRIMARY
Related Record Type Details
Structure of CEVIMELINE HYDROCHLORIDE ANHYDROUS
SALT/SOLVATE -> PARENT
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
MUSCARINIC ACETYLCHOLINE RECEPTOR M1
TARGET -> AGONIST
CYTOCHROME P450 3A4
METABOLIC ENZYME -> SUBSTRATE
MUSCARINIC ACETYLCHOLINE RECEPTOR M3
TARGET -> AGONIST
Structure of CEVIMELINE HYDROCHLORIDE
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of CEVIMELINE SULFOXIDE, CIS-
METABOLITE -> PARENT
Structure of CEVIMELINE N-OXIDE
METABOLITE -> PARENT
Structure of CEVIMELINE SULFOXIDE, CIS-
METABOLITE -> PARENT
MINOR
URINE
Structure of CEVIMELINE SULFOXIDE, CIS-
METABOLITE -> PARENT
These oxidations (in vitro) required NADPH, and were markedly inhibited by SKF-525A, indicating that cytochrome P450 (CYP) was involved
Structure of CEVIMELINE SULFOXIDE, TRANS-
METABOLITE -> PARENT
mainly catalyzed (in vitro) to sulfoxides by CYP2D6/3A4
Structure of CEVIMELINE SULFOXIDE, TRANS-
METABOLITE -> PARENT
Structure of CEVIMELINE SULFOXIDE, CIS-
METABOLITE -> PARENT
URINE
Structure of CEVIMELINE SULFOXIDE, TRANS-
METABOLITE -> PARENT
MAJOR
URINE
Structure of CEVIMELINE SULFOXIDE, TRANS-
METABOLITE -> PARENT
MAJOR
URINE
Structure of CEVIMELINE N-OXIDE
METABOLITE -> PARENT
mainly catalyzed (In vitro) to sulfoxides and N-oxide by CYP2D6/3A4 in liver and FMO1 in kidney
Structure of CEVIMELINE N-OXIDE
METABOLITE -> PARENT
MINOR
URINE
Related Record Type Details
Structure of CEVIMELINE
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC
Volume of Distribution PHARMACOKINETIC
NIH
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