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Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

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Also known as: 2641595-54-0, Bivamelagon [inn], No1y8wra8n, Orb1944349, Schembl24580355, Schembl26661738

Molecular Formula

C₃₅H₅₃ClN₄O₄

Molecular Weight

629.3 g/mol

InChI Key

QLOCFNAGHBVTJD-JBHFHXMJSA-N

FDA UNII

NO1Y8WRA8N

1 2D Structure

Bivamelagon

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(3S,5S)-1-[(3S,4R)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(morpholine-4-carbonyl)pyrrolidin-3-yl]-2-methyl-N-(4-methylcyclohexyl)propanamide

2.1.2 InChI

InChI=1S/C35H53ClN4O4/c1-23(2)32(41)40(27-13-7-24(3)8-14-27)28-19-31(34(43)37-15-17-44-18-16-37)39(20-28)33(42)30-22-38(35(4,5)6)21-29(30)25-9-11-26(36)12-10-25/h9-12,23-24,27-31H,7-8,13-22H2,1-6H3/t24?,27?,28-,29-,30+,31-/m0/s1

2.1.3 InChI Key

QLOCFNAGHBVTJD-JBHFHXMJSA-N

2.2 Other Identifiers

2.2.1 UNII

NO1Y8WRA8N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2641595-54-0

2. Bivamelagon [inn]

3. No1y8wra8n

4. Orb1944349

5. Schembl24580355

6. Schembl26661738

7. Da-51212

8. Hy-153660

9. Cs-0834180

10. N-{(3s,5s)-1-[(3s,4r)-1-tert-butyl-4-(4-chlorophenyl)pyrrolidine-3-carbonyl]-5-(morpholine-4-carbonyl)pyrrolidin-3-yl}-2-methyl-n-[(1s,4s)-4-methylcyclohexyl]propanamide

2.4 Create Date

2022-10-07

3 Chemical and Physical Properties

Molecular Formula	C₃₅H₅₃ClN₄O₄
Molecular Weight	629.3 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	73.4
Heavy Atom Count	44
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Bivamelagon

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