NCX-1000

Investigational

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 Search

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])CC[C@]12C)[C@H](C)CCC(=O)OC5=CC=C(\C=C\C(=O)OCCCCO[N+]([O-])=O)C=C5OC

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	9 / 10
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Thu Jul 06 14:08:33 UTC 2023` Edited by `admin` on `Thu Jul 06 14:08:33 UTC 2023`
Record UNII	V9G7HR5L1Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NCX-1000

Common Name

English

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.)-

Systematic Name

English

NO-URSODEOXYCHOLIC ACID

Common Name

English

,NO-UDCA

Common Name

English

Code System Code Type Description

PUBCHEM

129628949