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Details

Stereochemistry MIXED
Molecular Formula C35H49N3O4
Molecular Weight 575.7813
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.XI.-((3S,5R)-3,5-DIHYDROXY-2-METHYLCYCLOHEX-1-EN-1-YL)-17.BETA.-((2R)-6-METHYLHEPTAN-2-YL)-2-PHENYL-2,5,10-TRIAZA-4-NOR-9.XI.-ESTR-7-ENE-1,3-DIONE

SMILES

CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2C3=CC(N4N(C3CC[C@]12C)C(=O)N(C4=O)C5=CC=CC=C5)C6=C(C)[C@@H](O)C[C@H](O)C6

InChI

InChIKey=PTIHYNIKYFVMFI-UURGVQEHSA-N
InChI=1S/C35H49N3O4/c1-21(2)10-9-11-22(3)28-14-15-29-27-20-31(26-18-25(39)19-32(40)23(26)4)38-34(42)36(24-12-7-6-8-13-24)33(41)37(38)30(27)16-17-35(28,29)5/h6-8,12-13,20-22,25,28-32,39-40H,9-11,14-19H2,1-5H3/t22-,25-,28-,29+,30?,31?,32+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula C35H49N3O4
Molecular Weight 575.7813
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 6 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 13:37:46 GMT 2025
Edited
by admin
on Wed Apr 02 13:37:46 GMT 2025
Record UNII
V8JXN48CWQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.XI.-((3S,5R)-3,5-DIHYDROXY-2-METHYLCYCLOHEX-1-EN-1-YL)-17.BETA.-((2R)-6-METHYLHEPTAN-2-YL)-2-PHENYL-2,5,10-TRIAZA-4-NOR-9.XI.-ESTR-7-ENE-1,3-DIONE
Common Name English
ALFACALCIDOL IMPURITY C [EP IMPURITY]
Preferred Name English
Code System Code Type Description
PUBCHEM
71576655
Created by admin on Wed Apr 02 13:37:46 GMT 2025 , Edited by admin on Wed Apr 02 13:37:46 GMT 2025
PRIMARY
FDA UNII
V8JXN48CWQ
Created by admin on Wed Apr 02 13:37:46 GMT 2025 , Edited by admin on Wed Apr 02 13:37:46 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP