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Heterocyclic compounds

Pasireotide acetate

Also known as Pasireotide acetate salt, Cyclo((2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-(phenylmethyl)-L-tyrosyl-L-phenylalanyl-(4R)-4-((((2-aminoethyl)amino)carbonyl)oxy)-L-prolyl), monoacetate, Pasireotide (acetate)

CAS 396091-76-2Formula C60H70N10O11Molar mass 1,107.28 g/mol
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Pasireotide acetate chemical structure, C60H70N10O11, CAS 396091-76-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
396091-76-2
Formula
C60H70N10O11
Molar mass
1,107.28 g/mol
HS code
293379
Category
Heterocyclic compounds

What is Pasireotide acetate?

Plain description, key identifiers and synonyms

Pasireotide acetate is a chemical substance with the molecular formula C60H70N10O11 and a molar mass of 1,107.28 g/mol. Its CAS registry number is 396091-76-2. The IUPAC name is acetic acid, [(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
acetic acid, [(3S,6S,9S,12R,15S,18S,20R)-9-(4-aminobutyl)-3-benzyl-12-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-15-phenyl-6-[(4-phenylmethoxyphenyl)methyl]-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosan-20-yl] N-(2-aminoethyl)carbamate
CAS number
396091-76-2
Molecular formula
C60H70N10O11
UNII
662X0VFR9L
MDL number
MFCD08067735
InChIKey
WFKFNBBHVLMWQH-QKXVGOHISA-N
InChI
InChI=1S/C58H66N10O9.C2H4O2/c59-27-13-12-22-46-52(69)64-47(30-38-23-25-42(26-24-38)76-36-39-16-6-2-7-17-39)53(70)66-49(31-37-14-4-1-5-15-37)57(74)68-35-43(77-58(75)61-29-28-60)33-50(68)55(72)67-51(40-18-8-3-9-19-40)56(73)65-48(54(71)63-46)32-41-34-62-45-21-11-10-20-44(41)45;1-2(3)4/h1-11,14-21,23-26,34,43,46-51,62H,12-13,22,27-33,35-36,59-60H2,(H,61,75)(H,63,71)(H,64,69)(H,65,73)(H,66,70)(H,67,72);1H3,(H,3,4)/t43-,46+,47+,48-,49+,50+,51+;/m1./s1
Canonical SMILES
CC(=O)O.NCCCCC1NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(c2ccccc2)NC(=O)C2CC(OC(=O)NCCN)CN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)NC1=O
Isomeric SMILES
CC(=O)O.C1[C@H](CN2[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C2=O)CC3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5)CCCCN)CC6=CNC7=CC=CC=C76)C8=CC=CC=C8)OC(=O)NCCN

Synonyms

  • Pasireotide acetate salt
  • Cyclo((2S)-2-phenylglycyl-D-tryptophyl-L-lysyl-O-(phenylmethyl)-L-tyrosyl-L-phenylalanyl-(4R)-4-((((2-aminoethyl)amino)carbonyl)oxy)-L-prolyl), monoacetate
  • Pasireotide (acetate)
  • SOM230 (acetate)

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
1,107.28 g/molcalc.
Exact mass
1,106.5226 Dacalc.
LogP (octanol/water)
3.46calc.
Topological polar surface area
318.5 Ųcalc.
Hydrogen bond donors
10calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
17calc.
Heavy atoms
81calc.
Rings
8calc.
Aromatic rings
6calc.
Fraction sp3 carbons
0.33calc.
Formal charge
0calc.
Stereocentres
7calc.
Components
2calc.
Lipinski rule of five
Fails (3 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(c2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)N1

O=C1CNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(c2ccccc2)NC(=O)C2CCCN2C(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccc(OCc3ccccc3)cc2)N1

8 rings, 65 atoms.

7 other chemicals share this scaffold

Safety 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.

Pasireotide acetate suppliers

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Pasireotide acetate price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Pasireotide acetate is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Pasireotide acetate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Pasireotide acetate, based on the data on this page

What is Pasireotide acetate?

Pasireotide acetate is a chemical substance with the molecular formula C60H70N10O11 and a molar mass of 1,107.28 g/mol. Its CAS registry number is 396091-76-2.

What is the CAS number of Pasireotide acetate?

The CAS registry number of Pasireotide acetate is 396091-76-2.

What is the molecular formula and weight of Pasireotide acetate?

The molecular formula of Pasireotide acetate is C60H70N10O11 and its molar mass is 1,107.28 g/mol.

Is Pasireotide acetate hazardous?

No GHS hazard classification for Pasireotide acetate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Pasireotide acetate?

Pasireotide acetate is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pasireotide acetate?

CompoundList lists 1 supplier of Pasireotide acetate in United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Pasireotide acetate?

Suppliers quote Pasireotide acetate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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