Tacalcitol monohydrate (CAS 93129-94-3) — formula C27H46O4, molecular weight 434.7; category organic chemicals.
| CAS Number | 93129-94-3 |
|---|---|
| Molecular Formula | C27H46O4 |
| Molecular Weight | 434.7 |
| Category | Organic Chemicals |
Tacalcitol monohydrate is a carbon-based organic compound with CAS registry number 93129-94-3 and molecular formula C27H46O4 (molecular weight 434.7), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 93129-94-3
Its molecular formula C27H46O4 comprises 27 C, 46 H, 4 O atoms.
Also known as: Tacalcitol monohydrate · 塔骨化醇一水合物
Category: organic chemicals
The CAS registry number of Tacalcitol monohydrate is 93129-94-3.
Molecular formula C27H46O4, molecular weight 434.7.
It is also registered under: Tacalcitol monohydrate, 塔骨化醇一水合物.
Category: Organic Chemicals.
Independent reference data for Tacalcitol monohydrate (CAS 93129-94-3), compiled from public chemistry databases.
| CAS Registry Number | 93129-94-3 |
|---|---|
| PubChem CID | 9910819 |
| Molecular formula | C27H46O4 |
| IUPAC name | trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5R)-5-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;hydrate |
| UNII (FDA) | B3Q63NVN9R |
| Pharmacopoeial monograph | European Pharmacopoeia monograph |
| Molecular Weight | 434.7 |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 6 |
| Exact Mass | 434.33960994 |
| Monoisotopic Mass | 434.33960994 |
| Topological Polar Surface Area | 61.7 |
| Heavy Atom Count | 31 |
TACALCITOL MONOHYDRATE; 93129-94-3; UNII-B3Q63NVN9R; B3Q63NVN9R; Tacalcitol hydrate; Bonalfa high (TN); TACALCITOL HYDRATE [JAN]; (+)-(5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1alpha,3beta,24-triol monohydrate; TACALCITOL MONOHYDRATE [WHO-DD]; TACALCITOL MONOHYDRATE [EP MONOGRAPH]; (+)-(5Z,7E,24R)-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1.ALPHA.,3.BETA.,24-TRIOL MONOHYDRATE; TACALCITOL MONOHYDRATE (EP MONOGRAPH); Bonalfa high; RefChem:187097; Tacalcitol hydrate (JP17); (1S,3R,5Z,7E,24R)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24-triol monohydrate
| Reported hazard statements | H300 (100%), H310 (87.5%), H317 (87.5%), H319 (87.5%), H330 (87.5%), H334 (87.5%), H372 (87.5%) |
|---|
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
H310 (87.5%): Fatal in contact with skin [Danger Acute toxicity, dermal]
Tacalcitol monohydrate · CAS 93129-94-3 · C27H46O4. UNII B3Q63NVN9R. European Pharmacopoeia monograph.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 塔骨化醇一水合物