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

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

Structure Search

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

Approval Year

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

SUBSTANCE RECORD


					V8JXN48CWQ

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