U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
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Details

Stereochemistry ABSOLUTE
Molecular Formula C38H55NO10
Molecular Weight 685.844
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of NCX-1000

SMILES

COC1=CC(\C=C\C(=O)OCCCCO[N+]([O-])=O)=CC=C1OC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4[C@@H](O)C[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C

InChI

InChIKey=WTAVOESJEWSDJC-OBOLPPCUSA-N
InChI=1S/C38H55NO10/c1-24(28-10-11-29-36-30(16-18-38(28,29)3)37(2)17-15-27(40)22-26(37)23-31(36)41)7-13-35(43)49-32-12-8-25(21-33(32)46-4)9-14-34(42)47-19-5-6-20-48-39(44)45/h8-9,12,14,21,24,26-31,36,40-41H,5-7,10-11,13,15-20,22-23H2,1-4H3/b14-9+/t24-,26+,27-,28-,29+,30+,31+,36+,37+,38-/m1/s1

HIDE SMILES / InChI

Molecular Formula C38H55NO10
Molecular Weight 685.844
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:15:18 GMT 2025
Edited
by admin
on Mon Mar 31 22:15:18 GMT 2025
Record UNII
V9G7HR5L1Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHOLAN-24-OIC ACID, 3,7-DIHYDROXY-, 2-METHOXY-4-((1E)-3-(4-(NITROOXY)BUTOXY)-3-OXO-1-PROPEN-1-YL)PHENYL ESTER, (3.ALPHA.,5.BETA.,7.BETA.)-
Preferred Name English
NCX-1000
Common Name English
NO-URSODEOXYCHOLIC ACID
Common Name English
,NO-UDCA
Common Name English
Code System Code Type Description
PUBCHEM
129628949
Created by admin on Mon Mar 31 22:15:18 GMT 2025 , Edited by admin on Mon Mar 31 22:15:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID40960593
Created by admin on Mon Mar 31 22:15:18 GMT 2025 , Edited by admin on Mon Mar 31 22:15:18 GMT 2025
PRIMARY
CAS
301828-26-2
Created by admin on Mon Mar 31 22:15:18 GMT 2025 , Edited by admin on Mon Mar 31 22:15:18 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
V9G7HR5L1Q
Created by admin on Mon Mar 31 22:15:18 GMT 2025 , Edited by admin on Mon Mar 31 22:15:18 GMT 2025
PRIMARY
CAS
401519-96-8
Created by admin on Mon Mar 31 22:15:18 GMT 2025 , Edited by admin on Mon Mar 31 22:15:18 GMT 2025
PRIMARY
SMS_ID
300000042373
Created by admin on Mon Mar 31 22:15:18 GMT 2025 , Edited by admin on Mon Mar 31 22:15:18 GMT 2025
PRIMARY
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