Pgb1
Also known as prostaglandin B1, 9-oxo-15S-hydroxy-8(12),13E-prostadienoic acid, Prosta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-
Key facts
What buyers check first
- CAS number
- 13345-51-2
- Formula
- C20H32O4
- Molar mass
- 336.47 g/mol
- HS code
- 293750
- Category
- Impurities and reference standards
What is Pgb1?
Plain description, key identifiers and synonyms
Prostaglandin B1 is a member of the class of prostaglandins B that is prosta-8(12),13-dien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 13E,15S-stereoisomer). It has a role as a human metabolite. It is a conjugate acid of a prostaglandin B1(1-).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acid
- CAS number
- 13345-51-2
- Molecular formula
- C20H32O4
- UNII
- 1TYI1PJ64T
- MDL number
- MFCD00036679
- InChIKey
- YBHMPNRDOVPQIN-VSOYFRJCSA-N
- InChI
- InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1
- Canonical SMILES
- CCCCCC(O)C=CC1=C(CCCCCCC(=O)O)C(=O)CC1
- Isomeric SMILES
- CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)O)O
Synonyms
- prostaglandin B1
- 9-oxo-15S-hydroxy-8(12),13E-prostadienoic acid
- Prosta-8(12),13-dien-1-oic acid, 15-hydroxy-9-oxo-, (13E,15S)-
- 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acid
- 7-(2-((E,3S)-3-hydroxyoct-1-enyl)-5-oxocyclopenten-1-yl)heptanoic acid
- (13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oic acid
- Prostaglandinb1
- PGB1 (Prostaglandin B1)
- Prosta-8(12),13-dien-1-oicacid, 15-hydroxy-9-oxo-, (13E,15S)-
- Prostaglandin E1-278
- Postaglandin B1
- 15(S)-hydroxy-9-oxo-8(12),13-trans-prostadienoic acid
- 7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopenten-1-yl]heptanoic acid
- (S,E)-7-(2-(3-hydroxyoct-1-en-1-yl)-5-oxocyclopent-1-en-1-yl)heptanoic acid
- Prostaglandin-B1
- (13E,15S)-15-hydroxy-9-oxoprosta-8(12),13-dien-1-oate
- Prostaglandin B1, PGE1-278
- Prostaglandin B1, synthetic, powder
- Alprostadil EP Impurity B, Prostaglandinb1
- Alprostadil EP Impurity B, Prostaglandin B1
- Alprostadil impurity b
- Alprostadil (Prostaglandin E1) EP Impurity B
- 9-oxo-15S-hydroxy-8(12),13E-prostadienoate
- 15-Hydroxy-9-oxoprosta-8(12),13-dienoic acid
- 15Alpha-hydroxy-9-ketoprosta-8(12),13-dienoic acid
Show all 28 synonymsShow fewer synonyms
- 15Alpha-hydroxy-9-oxo-8(12),13e-prostadienoic acid
- 1-Cyclopentene-1-heptanoic acid, 2-(3-hydroxy-1-octenyl)-5-oxo-
- Prostaglandin B1, United States Pharmacopeia (USP) Reference Standard
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 336.47 g/molcalc.Computed value |
|---|---|
| Exact mass | 336.2301 Dacalc.Computed value |
| LogP (octanol/water) | 4.57calc.Computed value |
| Topological polar surface area | 74.6 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 13calc.Computed value |
| Heavy atoms | 24calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.7calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
O=C1C=CCC1
1 ring, 6 atoms, the 2-Cyclopenten-1-one ring system.
829 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Pgb1 suppliers
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Pgb1 price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- animal metabolite
- eukaryotic metabolite
- human metabolite
- mammalian metabolite
- metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Pgb1 is traded under.
Prostaglandins, thromboxanes and leukotrienes, their derivatives and structural analogues
- Hungary22.8%
- Czech Republic21.6%
- South Korea14.6%
The HS code shown for Pgb1 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Pgb1, based on the data on this page
What is Pgb1?
What is the CAS number of Pgb1?
What is the molecular formula and weight of Pgb1?
What is Pgb1 used for?
Is Pgb1 hazardous?
What is the HS code of Pgb1?
Where can I buy Pgb1?
What is the price of Pgb1?
Guides for buyers
Practical guides that help when you source, ship or handle Pgb1
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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