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Details

Stereochemistry ABSOLUTE
Molecular Formula C27H45NO6
Molecular Weight 478.65
Optical Activity UNSPECIFIED
Defined Stereocenters 11 / 11
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHOLYLSARCOSINE C-11

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)N([11CH3])CC(O)=O

InChI

InChIKey=DRRMEMPJCIGHMB-AWKXEPQSSA-N
InChI=1S/C27H45NO6/c1-15(5-8-23(32)28(4)14-24(33)34)18-6-7-19-25-20(13-22(31)27(18,19)3)26(2)10-9-17(29)11-16(26)12-21(25)30/h15-22,25,29-31H,5-14H2,1-4H3,(H,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,25+,26+,27-/m1/s1/i4-1

HIDE SMILES / InChI

Molecular Formula C27H45NO6
Molecular Weight 478.65
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 11 / 11
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:01:07 GMT 2023
Edited
by admin
on Sat Dec 16 19:01:07 GMT 2023
Record UNII
H2CKZ2DWF4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLYLSARCOSINE C-11
Common Name English
GLYCINE, N-(METHYL-11C)-N-((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)-
Systematic Name English
SARCOCHOLIC ACID C-11
Common Name English
11C-CHOLYLSARCOSINE
Common Name English
(N-METHYL-11C)CHOLYLSARCOSINE
Common Name English
C-CSAR HUMANE 244
Brand Name English
11C-CSAR
Common Name English
N-(METHYL-11C)-N-((3.ALPHA.,5.BETA.,7.ALPHA.,12.ALPHA.)-3,7,12-TRIHYDROXY-24-OXOCHOLAN-24-YL)GLYCINE
Systematic Name English
Code System Code Type Description
PUBCHEM
163203576
Created by admin on Sat Dec 16 19:01:07 GMT 2023 , Edited by admin on Sat Dec 16 19:01:07 GMT 2023
PRIMARY
CAS
1449249-30-2
Created by admin on Sat Dec 16 19:01:07 GMT 2023 , Edited by admin on Sat Dec 16 19:01:07 GMT 2023
PRIMARY
FDA UNII
H2CKZ2DWF4
Created by admin on Sat Dec 16 19:01:07 GMT 2023 , Edited by admin on Sat Dec 16 19:01:07 GMT 2023
PRIMARY
Related Record Type Details
NON-LABELED -> LABELED
Related Record Type Details
ACTIVE MOIETY