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Vitamin D4

Vitamin D4 structure

CAS No:
511-28-4
Formula:
C28H46O
Chemical Name:
Vitamin D4
Synonyms:
Cyclohexanol,4-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,4S)-1,4,5-trimethylhexyl]-4H-inden-4-ylidene]ethylidene]-,(1S,3Z)-;Vitamin D4;9,10-Secoergosta-5,7,10(19)-trien-3-ol,(3β,5Z,7E)-;Ergocalciferol,22,23-dihydro-;(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1R,4S)-1,4,5-trimethylhexyl]-4H-inden-4-ylidene]ethylidene]cyclohexanol;22,23-Dihydrovitamin D2;22,23-Dihydroergocalciferol;24S-Methylcalciol;22,23-Dihydroercalciol
Categories:
Active Pharmaceutical Ingredients > Vitamins and Minerals Medicines

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Description

Vitamin D4 is the active analogue of Vitamin D.

Vitamin D4 is it is present in mushrooms. It has a role as a fungal metabolite. It is a vitamin D and a seco-ergostane.

Vitamin D4 Basic Attributes

Molecular Weight：

384.64

Exact Mass：

398.66

EC Number：

200-673-2

UNII：

KN41X73N6C

HScode：

2936240000

Characteristics

PSA：

20.23000

XLogP3：

7.86500

Density：

0.96

Melting Point：

97 °C

Boiling Point：

504.9ºC at 760 mmHg

Flash Point：

219.2ºC

Refractive Index：

1.52

Storage Conditions：

2-8°C

Specific rotation：

D18 +89.3° (c = 0.47 in acetone)

Safety Information

Transport codes：

UN 2811 6.1/PG 2

wgk germany：

hazard class code：

24/25-26-48/25

safety instructions：

28-36/37

RTECS Number：

VS2900000

Marks：

T+

Vitamin D4 Use and Manufacturing

Uses

Vitamin D4 is the active analogue of Vitamin D.

Use Classification：

Lipids -> Sterol Lipids [ST] -> Secosteroids [ST03] -> Vitamin D4 and derivatives [ST0303]

Computed Properties

Molecular Weight:398.7
XLogP3:8.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:398.354866087
Monoisotopic Mass:398.354866087
Topological Polar Surface Area:20.2
Heavy Atom Count:29
Complexity:639
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Drug Function and Efficacy

Unspecified

This ingredient has been used in drugs with the following functions (note: it does not mean that the ingredient itself has the following health functions)

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Registered Holders

Chongqing Southwest NO.2 Pharmaceutical FACTORY Co., Ltd.

China
Active

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