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Details

Stereochemistry ABSOLUTE
Molecular Formula C30H46O3
Molecular Weight 454.6844
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of SEOCALCITOL

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)\C=C\C=C\C(O)(CC)CC

InChI

InChIKey=LVLLALCJVJNGQQ-SEODYNFXSA-N
InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14-/t21-,25-,26-,27+,28+,29-/m1/s1

HIDE SMILES / InChI

Molecular Formula C30H46O3
Molecular Weight 454.6844
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 4
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:53:17 UTC 2023
Edited
by admin
on Fri Dec 15 15:53:17 UTC 2023
Record UNII
Q0OZ0D9223
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SEOCALCITOL
INN   MART.   MI   WHO-DD  
INN  
Official Name English
seocalcitol [INN]
Common Name English
CB-1089
Code English
SEOCALCITOL [MI]
Common Name English
SEOCALCITOL [MART.]
Common Name English
Seocalcitol [WHO-DD]
Common Name English
Classification Tree Code System Code
EU-Orphan Drug EU/3/01/052
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
NCI_THESAURUS C39713
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C26669
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
MERCK INDEX
m9865
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY Merck Index
FDA UNII
Q0OZ0D9223
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
PUBCHEM
5288149
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
CAS
134404-52-7
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
INN
7666
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
MESH
C078903
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
SMS_ID
100000084092
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
ChEMBL
CHEMBL1908376
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
DRUG BANK
DB04258
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
EVMPD
SUB10483MIG
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
EPA CompTox
DTXSID601025740
Created by admin on Fri Dec 15 15:53:18 UTC 2023 , Edited by admin on Fri Dec 15 15:53:18 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
PARENT -> DERIVATIVE
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ACTIVE MOIETY