Acetyl Isoniazid-d4

CAT: 0024-sc-480255Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-480255Size:1 mg

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CAS Number

1330169-81-7

Chemical Information

Acetyl Isoniazid-d4

CAS Number	1330169-81-7
PubChem CID	71312942
IUPAC Name	N'-acetyl-2,3,5,6-tetradeuteriopyridine-4-carbohydrazide
Molecular Formula	C8H9N3O2
Molecular Weight	183.20
XLogP	-0.4
Topological Polar Surface Area	71.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	200

SMILES

[2H]C1=C(N=C(C(=C1C(=O)NNC(=O)C)[2H])[2H])[2H]

InChI

InChI=1S/C8H9N3O2/c1-6(12)10-11-8(13)7-2-4-9-5-3-7/h2-5H,1H3,(H,10,12)(H,11,13)/i2D,3D,4D,5D

InChIKey

CVBGNAKQQUWBQV-QFFDRWTDSA-N

Chemical Structure

2D Structure

CAS: 1330169-81-7

CID: 71312942

Formula: C8H9N3O2

MW: 183.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.20
XLogP3	-0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	183.094583522
Monoisotopic Mass	183.094583522
Topological Polar Surface Area	71.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	200
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-218611	Isoniazid-d4
sc-391344D	Acetyl Isoniazid
sc-391344C	Acetyl Isoniazid
sc-391344	Acetyl Isoniazid
sc-391344B	Acetyl Isoniazid
sc-391344A	Acetyl Isoniazid
sc-205722A	Isoniazid
sc-205722	Isoniazid
sc-205722B	Isoniazid
sc-480446	N1-Acetyl Triethylenetetramine-d4

Catalog	Name
001435	Acetyl Isoniazid-d4
RM-I221201-01	Acetyl Isoniazid
TRC-S689227-5MG	Sulfisoxazole Acetyl-d4
CS-T-103130	Acetyl Voclosporin-d4
CS-T-94392	N2-Acetyl Acyclovir-d4
HY-141760S	N-Acetyl sulfamethazine-d4
HY-W011471S	N-Acetyl sulfapyridine-d4
MBS6030545-01	N-Acetyl Sulfadiazine-d4
AR-T05927-01	N1-Acetyl triethylenetetramine-d4
CS-F-00060	N-Acetyl Clonidine-D4