TRIAZOLINE ADDUCT OF PRE-CALCITRIOL

Details

Stereochemistry	MIXED
Molecular Formula	C35H49N3O5
Molecular Weight	591.7807
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of TRIAZOLINE ADDUCT OF PRE-CALCITRIOL

Structure Search

SMILES

C[C@H](CCCC(C)(C)O)[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=AYDPRRXRNSGAGP-SOWNFDNZSA-N

InChI=1S/C35H49N3O5/c1-21(10-9-16-34(3,4)43)27-13-14-28-26-20-30(25-18-24(39)19-31(40)22(25)2)38-33(42)36(23-11-7-6-8-12-23)32(41)37(38)29(26)15-17-35(27,28)5/h6-8,11-12,20-21,24,27-31,39-40,43H,9-10,13-19H2,1-5H3/t21-,24-,27-,28+,29?,30?,31+,35-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C35H49N3O5
Molecular Weight	591.7807
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 `Mon Mar 31 20:57:02 GMT 2025` Edited by `admin` on `Mon Mar 31 20:57:02 GMT 2025`
Record UNII	24K9ZFN9MV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRIAZOLINE ADDUCT OF PRE-CALCITRIOL

Common Name

English

(6AR,7R,9AR)-11-((3S,5R)-3,5-DIHYDROXY-2-METHYLCYCLOHEX-1-ENYL)-7-((1R)-5-HYDROXY-1,5-DIMETHYLHEXYL)-6A-METHYL-2-PHENYL-5,6,6A,7,8,9,9A,11-OCTAHYDRO-1H,4AH-CYCLOPENTA(F)(1,2,4)TRIAZOLO(1,2-A)CINNOLINE-1,3(2H)-DIONE

Preferred Name

English

CALCITRIOL IMPURITY C [EP IMPURITY]

Common Name

English

Code System Code Type Description

FDA UNII

24K9ZFN9MV

Created by admin on Mon Mar 31 20:57:02 GMT 2025 , Edited by admin on Mon Mar 31 20:57:02 GMT 2025

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PUBCHEM

71576654

Created by admin on Mon Mar 31 20:57:02 GMT 2025 , Edited by admin on Mon Mar 31 20:57:02 GMT 2025

PRIMARY

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