IPROCINODINE I HYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H65N13O13.3ClH
Molecular Weight	1045.406
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of IPROCINODINE I HYDROCHLORIDE

Structure Search

SMILES

Cl.Cl.Cl.[H][C@@]12NC(=O)N(C(N)=O)[C@@]1([H])[C@]([H])(O[C@@H]3CO[C@H](NC(=O)N[C@@H]4[C@@H](C)O[C@H](OC5=CC=C(\C=C\C(=O)NCCCNCCCCNC(C)C)C=C5)[C@H](NC(N)=N)[C@H]4O)[C@H](NC(N)=O)[C@H]3O)OC[C@H]2O

InChI

InChIKey=XCJNEJWLSCLSRM-DWWBYLBASA-N

InChI=1S/C40H65N13O13.3ClH/c1-19(2)46-15-5-4-13-45-14-6-16-47-25(55)12-9-21-7-10-22(11-8-21)65-34-29(48-36(41)42)32(57)26(20(3)64-34)50-39(60)52-33-28(49-37(43)58)31(56)24(18-62-33)66-35-30-27(23(54)17-63-35)51-40(61)53(30)38(44)59;;;/h7-12,19-20,23-24,26-35,45-46,54,56-57H,4-6,13-18H2,1-3H3,(H2,44,59)(H,47,55)(H,51,61)(H4,41,42,48)(H3,43,49,58)(H2,50,52,60);3*1H/b12-9+;;;/t20-,23-,24-,26-,27+,28-,29-,30-,31+,32+,33+,34-,35+;;;/m1.../s1

HIDE SMILES / InChI

Molecular Formula	C40H65N13O13
Molecular Weight	936.0234
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	1
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:25:59 GMT 2023` Edited by `admin` on `Sat Dec 16 08:25:59 GMT 2023`
Record UNII	59532L344K
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IPROCINODINE I HYDROCHLORIDE

Common Name

English

1-(1-METHYLETHYL)CINODINE I HYDROCHLORIDE

Common Name

English

ANTIBIOTIC BM-123.GAMMA.1, 1-(1-METHYLETHYL)-, HYDROCHLORIDE

Common Name

English

Code System Code Type Description

CAS

83043-16-7

Created by admin on Sat Dec 16 08:25:59 GMT 2023 , Edited by admin on Sat Dec 16 08:25:59 GMT 2023

PRIMARY

PUBCHEM

72941607

Created by admin on Sat Dec 16 08:25:59 GMT 2023 , Edited by admin on Sat Dec 16 08:25:59 GMT 2023

PRIMARY

CAS

68681-94-7

Created by admin on Sat Dec 16 08:25:59 GMT 2023 , Edited by admin on Sat Dec 16 08:25:59 GMT 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

59532L344K

Created by admin on Sat Dec 16 08:25:59 GMT 2023 , Edited by admin on Sat Dec 16 08:25:59 GMT 2023

PRIMARY