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Details

Stereochemistry ABSOLUTE
Molecular Formula C49H62N10O16S3
Molecular Weight 1143.269
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SINCALIDE

SMILES

CSCC[C@H](NC(=O)[C@H](CC1=CC=C(OS(O)(=O)=O)C=C1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC4=CC=CC=C4)C(N)=O

InChI

InChIKey=IZTQOLKUZKXIRV-YRVFCXMDSA-N
InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1

HIDE SMILES / InChI

Molecular Formula C49H62N10O16S3
Molecular Weight 1143.269
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:47:40 UTC 2023
Edited
by admin
on Fri Dec 15 15:47:40 UTC 2023
Record UNII
M03GIQ7Z6P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SINCALIDE
INN   MART.   MI   ORANGE BOOK   USAN   USP   VANDF   WHO-DD  
USAN   INN  
Official Name English
CCK C-TERMINAL OCTAPEPTIDE
Common Name English
Sincalide [WHO-DD]
Common Name English
CAERULEIN, 1-DE(5-OXO-L-PROLINE)-2-DE-L-GLUTAMINE-5-L-METHIONINE-
Common Name English
CHOLECYSTOKININ C-TERMINAL OCTAPEPTIDE
MI  
Common Name English
L-ASPARTYL-L-TYROSYL-L-METHIONYLGLYCYL-L-TRYPTOPHYL-L-METHIONYL-L-ASPARTYLPHENYL-L-ALANINAMIDE HYDROGEN SULFATE (ESTER)
Common Name English
KINEVAC
Brand Name English
L-.ALPHA.-ASPARTYL-O-SULFO-L-TYROSYL-L-METHIONYLGLYCYL-L-TRYPTOPHYL-L-METHIONYL-L-.ALPHA.-ASPARTYL-L-PHENYLALANINAMIDE
Common Name English
SQ 19844
Code English
SINCALIDE [USP IMPURITY]
Common Name English
SINCALIDE [USAN]
Common Name English
SINCALIDE [MI]
Common Name English
SINCALIDE [MART.]
Common Name English
SINCALIDE [VANDF]
Common Name English
sincalide [INN]
Common Name English
SINCALIDE [ORANGE BOOK]
Common Name English
CHOLECYSTOKININ C-TERMINAL OCTAPEPTIDE [MI]
Common Name English
SQ-19844
Code English
CCK-8s
Common Name English
Classification Tree Code System Code
NDF-RT N0000175798
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
NDF-RT N0000007750
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
NDF-RT N0000007750
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
WHO-ATC V04CC03
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
NCI_THESAURUS C1937
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
NDF-RT N0000007750
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
WHO-VATC QV04CC03
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
Code System Code Type Description
SMS_ID
100000083517
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
LACTMED
Sincalide
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
INN
3617
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
FDA UNII
M03GIQ7Z6P
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
EVMPD
SUB10531MIG
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
MESH
D012844
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID7048617
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
CAS
25126-32-3
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
DAILYMED
M03GIQ7Z6P
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
DRUG CENTRAL
4627
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
RXCUI
9800
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY RxNorm
MERCK INDEX
m9951
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C47719
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
PUBCHEM
9833444
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
DRUG BANK
DB09142
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
ECHA (EC/EINECS)
246-639-0
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
WIKIPEDIA
SINCALIDE
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL1121
Created by admin on Fri Dec 15 15:47:40 UTC 2023 , Edited by admin on Fri Dec 15 15:47:40 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Binding Asssay
BINDING
IC50
TARGET -> AGONIST
BINDING
IC50
Related Record Type Details
ACTIVE MOIETY