MUTAPRODENAFIL

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H35N9O5S2
Molecular Weight	629.754
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCC1=NN(C)C2=C(SC3=C(N=CN3C)[N+]([O-])=O)N=C(N=C12)C4=CC(=CC=C4OCC)S(=O)(=O)N5C[C@H](C)N[C@H](C)C5

InChI

InChIKey=BKSGUKFLKLIEQV-CALCHBBNSA-N

InChI=1S/C27H35N9O5S2/c1-7-9-20-22-23(34(6)32-20)26(42-27-25(36(37)38)28-15-33(27)5)31-24(30-22)19-12-18(10-11-21(19)41-8-2)43(39,40)35-13-16(3)29-17(4)14-35/h10-12,15-17,29H,7-9,13-14H2,1-6H3/t16-,17+

HIDE SMILES / InChI

Molecular Formula	C27H35N9O5S2
Molecular Weight	629.754
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:00:06 GMT 2023` Edited by `admin` on `Sat Dec 16 10:00:06 GMT 2023`
Record UNII	0KBR3VF526
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MUTAPRODENAFIL

Common Name

English

1H-PYRAZOLO(4,3-D)PYRIMIDINE, 5-(5-(((3R,5S)-3,5-DIMETHYL-1-PIPERAZINYL)SULFONYL)-2-ETHOXYPHENYL)-1-METHYL-7-((1-METHYL-4-NITRO-1H-IMIDAZOL-5-YL)THIO)-3-PROPYL-, REL-

Systematic Name

English

NITROPRODENAFIL

Common Name

English

Code System Code Type Description

CAS

1444244-93-2

Created by admin on Sat Dec 16 10:00:06 GMT 2023 , Edited by admin on Sat Dec 16 10:00:06 GMT 2023

NON-SPECIFIC STEREOCHEMISTRY

FDA UNII

0KBR3VF526

Created by admin on Sat Dec 16 10:00:06 GMT 2023 , Edited by admin on Sat Dec 16 10:00:06 GMT 2023

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CAS

1387577-30-1

Created by admin on Sat Dec 16 10:00:06 GMT 2023 , Edited by admin on Sat Dec 16 10:00:06 GMT 2023

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PUBCHEM

54672068

Created by admin on Sat Dec 16 10:00:06 GMT 2023 , Edited by admin on Sat Dec 16 10:00:06 GMT 2023

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