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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H48O4
Molecular Weight 460.689
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 2
Charge 0

SHOW SMILES / InChI
Structure of LEXACALCITOL

SMILES

[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C)[C@@H](C)OCCCC(O)(CC)CC

InChI

InChIKey=KLZOTDOJMRMLDX-YBBVPDDNSA-N
InChI=1S/C29H48O4/c1-6-29(32,7-2)16-9-17-33-21(4)25-13-14-26-22(10-8-15-28(25,26)5)11-12-23-18-24(30)19-27(31)20(23)3/h11-12,21,24-27,30-32H,3,6-10,13-19H2,1-2,4-5H3/b22-11+,23-12-/t21-,24-,25-,26+,27+,28-/m1/s1

HIDE SMILES / InChI

Molecular Formula C29H48O4
Molecular Weight 460.689
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:15:14 UTC 2023
Edited
by admin
on Fri Dec 15 16:15:14 UTC 2023
Record UNII
9G3DCA3958
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LEXACALCITOL
INN  
INN  
Official Name English
KH-106
Code English
KH106
Code English
KH-1060
Code English
KH1060
Code English
(5Z,7E,20R)-20-((4-ETHYL-4-HYDROXYHEXYL)OXY)-9,10-SECOPREGNA-5,7,10(19)-TRIENE-1.ALPHA.,3.BETA.-DIOL
Common Name English
lexacalcitol [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C39713
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
Code System Code Type Description
PUBCHEM
5288670
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
EVMPD
SUB08497MIG
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
CAS
131875-08-6
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
SMS_ID
100000082286
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
INN
7255
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
DRUG BANK
DB03451
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
FDA UNII
9G3DCA3958
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID10869807
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
ChEMBL
CHEMBL432600
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
NCI_THESAURUS
C80885
Created by admin on Fri Dec 15 16:15:14 UTC 2023 , Edited by admin on Fri Dec 15 16:15:14 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> ACTIVATOR
Related Record Type Details
ACTIVE MOIETY